FL_001.MOL 8 7 9 X 4.880 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9995 -6.9103 1.4624 C 0 0 0 0 0 3.3840 -8.1694 1.4304 C 0 0 0 0 0 1.9839 -8.2420 1.4225 C 0 0 0 0 0 1.1862 -7.0674 1.4419 C 0 0 0 0 0 1.8568 -5.8251 1.4585 C 0 0 0 0 0 3.2530 -5.7243 1.4743 C 0 0 0 0 0 1.2031 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9058 -5.7635 1.4577 C 0 0 0 0 0 -0.2647 -7.0903 1.4498 C 0 0 0 0 0 -0.7084 -3.2411 1.4502 C 0 0 0 0 0 -1.0664 -2.6204 2.6521 C 0 0 0 0 0 -1.5752 -1.3244 2.6535 C 0 0 0 0 0 -1.7232 -0.6356 1.4426 C 0 0 0 0 0 -1.3544 -1.2631 0.2312 C 0 0 0 0 0 -0.8480 -2.5632 0.2333 C 0 0 0 0 0 -0.9640 -8.1227 1.4498 O 0 0 0 0 0 5.3689 -6.9061 1.4799 O 0 0 0 0 0 3.9874 -9.0874 1.4131 H 0 0 0 0 0 1.4787 -9.5065 1.3928 O 0 0 0 0 0 3.7339 -4.7380 1.4969 H 0 0 0 0 0 -2.2807 -5.6951 1.4585 O 0 0 0 0 0 -0.9496 -3.1605 3.6036 H 0 0 0 0 0 -1.8668 -0.8305 3.5917 H 0 0 0 0 0 -2.2222 0.6410 1.4966 O 0 0 0 0 0 -1.5194 -0.5125 -0.9163 O 0 0 0 0 0 -0.5640 -3.0498 -0.7110 H 0 0 0 0 0 5.6710 -5.9850 1.5142 H 0 0 0 0 0 0.5054 -9.4849 1.3975 H 0 0 0 0 0 -2.6116 -6.6109 1.4791 H 0 0 0 0 0 -2.2849 0.9794 0.5892 H 0 0 0 0 0 -1.2973 -1.0742 -1.6724 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 22 30 1 0 0 0 25 31 1 0 0 0 26 32 1 0 0 0 M END FL_002.MOL 8 7 9 X 4.860 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 -5.4008 0.8844 0.7644 C 0 0 0 0 0 -5.4770 2.2726 1.0211 C 0 0 0 0 0 -4.3138 3.0197 1.0391 C 0 0 0 0 0 -3.0629 2.4171 0.8060 C 0 0 0 0 0 -3.0122 1.0362 0.5511 C 0 0 0 0 0 -4.1787 0.2512 0.5263 C 0 0 0 0 0 -1.8424 0.3460 0.3071 O 0 0 0 0 0 -0.6499 1.0597 0.3442 C 0 0 0 0 0 -0.6128 2.4048 0.5804 C 0 0 0 0 0 -1.8318 3.1974 0.8285 C 0 0 0 0 0 0.4962 0.1845 0.0919 C 0 0 0 0 0 1.2737 -0.2798 1.1636 C 0 0 0 0 0 2.3783 -1.0990 0.9339 C 0 0 0 0 0 2.7159 -1.4585 -0.3809 C 0 0 0 0 0 1.9272 -0.9903 -1.4600 C 0 0 0 0 0 0.8163 -0.1741 -1.2252 C 0 0 0 0 0 -1.7666 4.4200 1.0336 O 0 0 0 0 0 -6.5909 0.2050 0.7639 O 0 0 0 0 0 -6.4590 2.7314 1.2026 H 0 0 0 0 0 -4.1103 -0.8265 0.3271 H 0 0 0 0 0 0.6044 3.0434 0.5857 O 0 0 0 0 0 1.0140 0.0093 2.1927 H 0 0 0 0 0 2.9955 -1.4669 1.7660 H 0 0 0 0 0 3.8097 -2.2664 -0.5556 O 0 0 0 0 0 2.3208 -1.3929 -2.7189 O 0 0 0 0 0 0.2028 0.1847 -2.0636 H 0 0 0 0 0 -6.4091 -0.7314 0.5897 H 0 0 0 0 0 3.9347 -2.4029 -1.5080 H 0 0 0 0 0 1.7542 -0.9457 -3.3635 H 0 0 0 0 0 0.4303 3.9860 0.7591 H 0 0 0 0 0 -4.3429 4.1048 1.2373 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 31 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 20 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 21 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 22 1 0 0 0 13 14 2 0 0 0 13 23 1 0 0 0 14 15 1 0 0 0 14 24 1 0 0 0 15 16 2 0 0 0 15 25 1 0 0 0 16 26 1 0 0 0 18 27 1 0 0 0 21 30 1 0 0 0 24 28 1 0 0 0 25 29 1 0 0 0 M END FL_003.MOL 8 7 9 X 4.830 3-atoms Rotated coordinates no 30 32 0 0 0 0 0 0 0 0 0 3.9626 -6.9567 1.4670 C 0 0 0 0 0 3.3264 -8.2038 1.4386 C 0 0 0 0 0 1.9233 -8.2527 1.4235 C 0 0 0 0 0 1.1449 -7.0675 1.4394 C 0 0 0 0 0 1.8382 -5.8396 1.4572 C 0 0 0 0 0 3.2347 -5.7582 1.4741 C 0 0 0 0 0 1.2002 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9294 -5.7362 1.4577 C 0 0 0 0 0 -0.3175 -7.0641 1.4435 C 0 0 0 0 0 -0.7131 -3.2407 1.4499 C 0 0 0 0 0 -1.0875 -2.6280 2.6541 C 0 0 0 0 0 -1.6063 -1.3391 2.6538 C 0 0 0 0 0 -1.7449 -0.6576 1.4316 C 0 0 0 0 0 -1.3686 -1.2612 0.2227 C 0 0 0 0 0 -0.8508 -2.5531 0.2391 C 0 0 0 0 0 -1.0065 -8.1007 1.4336 O 0 0 0 0 0 5.3333 -6.9727 1.4853 O 0 0 0 0 0 3.9125 -9.1330 1.4286 H 0 0 0 0 0 1.4011 -9.5106 1.3919 O 0 0 0 0 0 3.7316 -4.7799 1.4940 H 0 0 0 0 0 -2.0292 -5.6949 1.4623 H 0 0 0 0 0 -0.9695 -3.1698 3.6051 H 0 0 0 0 0 -1.9092 -0.8453 3.5877 H 0 0 0 0 0 -2.2597 0.6141 1.4970 O 0 0 0 0 0 -1.4787 -0.7199 -0.7274 H 0 0 0 0 0 -0.5484 -3.0341 -0.7041 H 0 0 0 0 0 5.6473 -6.0557 1.5096 H 0 0 0 0 0 0.4280 -9.4762 1.3836 H 0 0 0 0 0 -2.2949 0.9722 0.5974 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 25 30 1 0 0 0 M END FL_004.MOL 8 7 9 X 4.800 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9653 -6.9550 1.4599 C 0 0 0 0 0 3.3261 -8.1882 1.4345 C 0 0 0 0 0 1.9185 -8.2507 1.4223 C 0 0 0 0 0 1.1420 -7.0686 1.4390 C 0 0 0 0 0 1.8361 -5.8410 1.4556 C 0 0 0 0 0 3.2357 -5.7685 1.4691 C 0 0 0 0 0 1.1983 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9318 -5.7355 1.4577 C 0 0 0 0 0 -0.3232 -7.0634 1.4444 C 0 0 0 0 0 -0.7151 -3.2408 1.4466 C 0 0 0 0 0 -1.0921 -2.6245 2.6477 C 0 0 0 0 0 -1.6101 -1.3352 2.6426 C 0 0 0 0 0 -1.7444 -0.6566 1.4182 C 0 0 0 0 0 -1.3654 -1.2641 0.2119 C 0 0 0 0 0 -0.8493 -2.5566 0.2335 C 0 0 0 0 0 -1.0107 -8.1006 1.4354 O 0 0 0 0 0 5.0663 -6.9123 1.4724 H 0 0 0 0 0 3.8989 -9.1267 1.4243 H 0 0 0 0 0 1.4020 -9.5120 1.3926 O 0 0 0 0 0 3.7322 -4.7887 1.4879 H 0 0 0 0 0 -2.0311 -5.6925 1.4622 H 0 0 0 0 0 -0.9759 -3.1630 3.6011 H 0 0 0 0 0 -1.9154 -0.8384 3.5745 H 0 0 0 0 0 -2.2585 0.6157 1.4785 O 0 0 0 0 0 -1.4713 -0.7246 -0.7396 H 0 0 0 0 0 -0.5441 -3.0399 -0.7075 H 0 0 0 0 0 0.4291 -9.4815 1.3925 H 0 0 0 0 0 -2.2828 0.9742 0.5788 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 20 28 1 0 0 0 25 29 1 0 0 0 M END FL_005.MOL 8 7 9 X 4.800 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9405 -6.9971 1.4075 C 0 0 0 0 0 3.2437 -8.2246 1.3900 C 0 0 0 0 0 1.8492 -8.2640 1.4051 C 0 0 0 0 0 1.1246 -7.0640 1.4326 C 0 0 0 0 0 1.8235 -5.8494 1.4420 C 0 0 0 0 0 3.2319 -5.8083 1.4343 C 0 0 0 0 0 1.1986 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9427 -5.7289 1.4577 C 0 0 0 0 0 -0.3484 -7.0648 1.4508 C 0 0 0 0 0 -0.7084 -3.2350 1.4452 C 0 0 0 0 0 -1.0808 -2.6139 2.6405 C 0 0 0 0 0 -1.5853 -1.3117 2.6161 C 0 0 0 0 0 -1.7213 -0.6233 1.4159 C 0 0 0 0 0 -1.3407 -1.2569 0.2198 C 0 0 0 0 0 -0.8314 -2.5616 0.2254 C 0 0 0 0 0 -1.0236 -8.1035 1.4557 O 0 0 0 0 0 5.0406 -7.0033 1.3991 H 0 0 0 0 0 4.0228 -9.3595 1.3571 O 0 0 0 0 0 1.2982 -9.2180 1.3965 H 0 0 0 0 0 3.7465 -4.8363 1.4492 H 0 0 0 0 0 -2.0415 -5.6717 1.4586 H 0 0 0 0 0 -0.9759 -3.1474 3.5967 H 0 0 0 0 0 -1.8778 -0.8242 3.5588 H 0 0 0 0 0 -2.1146 0.4025 1.3828 H 0 0 0 0 0 -1.4962 -0.5275 -0.9361 O 0 0 0 0 0 -0.5293 -3.0492 -0.7125 H 0 0 0 0 0 3.4314 -10.1265 1.3434 H 0 0 0 0 0 -1.1886 -1.0703 -1.6771 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 26 29 1 0 0 0 M END FL_006.MOL 8 7 9 X 4.710 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9607 -6.9580 1.4441 C 0 0 0 0 0 3.3235 -8.2044 1.4155 C 0 0 0 0 0 1.9204 -8.2526 1.4111 C 0 0 0 0 0 1.1424 -7.0675 1.4352 C 0 0 0 0 0 1.8368 -5.8403 1.4515 C 0 0 0 0 0 3.2333 -5.7592 1.4595 C 0 0 0 0 0 1.1998 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9311 -5.7349 1.4577 C 0 0 0 0 0 -0.3198 -7.0634 1.4492 C 0 0 0 0 0 -0.7111 -3.2383 1.4474 C 0 0 0 0 0 -1.0802 -2.6198 2.6474 C 0 0 0 0 0 -1.5923 -1.3229 2.6265 C 0 0 0 0 0 -1.7358 -0.6450 1.4157 C 0 0 0 0 0 -1.3636 -1.2613 0.2207 C 0 0 0 0 0 -0.8485 -2.5566 0.2325 C 0 0 0 0 0 -1.0089 -8.1000 1.4523 O 0 0 0 0 0 5.3314 -6.9760 1.4521 O 0 0 0 0 0 3.9094 -9.1339 1.3976 H 0 0 0 0 0 1.3981 -9.5103 1.3795 O 0 0 0 0 0 3.7298 -4.7808 1.4773 H 0 0 0 0 0 -2.0309 -5.6917 1.4600 H 0 0 0 0 0 -0.9664 -3.1556 3.6015 H 0 0 0 0 0 -1.8831 -0.8352 3.5690 H 0 0 0 0 0 -2.1406 0.3781 1.4029 H 0 0 0 0 0 -1.4731 -0.7256 -0.7340 H 0 0 0 0 0 -0.5487 -3.0434 -0.7075 H 0 0 0 0 0 5.6478 -6.0599 1.4732 H 0 0 0 0 0 0.4248 -9.4755 1.3714 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 M END FL_007.MOL 8 7 9 X 4.460 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 3.9607 -6.9588 1.4824 C 0 0 0 0 0 3.3238 -8.2056 1.4562 C 0 0 0 0 0 1.9206 -8.2540 1.4407 C 0 0 0 0 0 1.1432 -7.0682 1.4498 C 0 0 0 0 0 1.8371 -5.8406 1.4653 C 0 0 0 0 0 3.2335 -5.7595 1.4854 C 0 0 0 0 0 1.2001 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9304 -5.7352 1.4577 C 0 0 0 0 0 -0.3190 -7.0640 1.4490 C 0 0 0 0 0 -0.7121 -3.2388 1.4503 C 0 0 0 0 0 -1.0880 -2.6265 2.6502 C 0 0 0 0 0 -1.5994 -1.3312 2.6518 C 0 0 0 0 0 -1.7329 -0.6363 1.4425 C 0 0 0 0 0 -1.3475 -1.2576 0.2323 C 0 0 0 0 0 -0.8374 -2.5562 0.2347 C 0 0 0 0 0 -1.0086 -8.1002 1.4394 O 0 0 0 0 0 5.3312 -6.9764 1.5036 O 0 0 0 0 0 3.9098 -9.1351 1.4502 H 0 0 0 0 0 1.3972 -9.5114 1.4156 O 0 0 0 0 0 3.7310 -4.7815 1.5051 H 0 0 0 0 0 -2.0300 -5.6921 1.4605 H 0 0 0 0 0 -0.9783 -3.1691 3.6015 H 0 0 0 0 0 -1.9014 -0.8405 3.5884 H 0 0 0 0 0 -2.2386 0.6370 1.4958 O 0 0 0 0 0 -1.5099 -0.5047 -0.9127 O 0 0 0 0 0 -0.5341 -3.0366 -0.7072 H 0 0 0 0 0 5.6469 -6.0599 1.5248 H 0 0 0 0 0 0.4240 -9.4761 1.4084 H 0 0 0 0 0 -2.2625 0.9927 0.5930 H 0 0 0 0 0 -1.1859 -1.0269 -1.6605 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 25 30 1 0 0 0 26 31 1 0 0 0 M END FL_008.MOL 8 7 9 X 4.410 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9244 -7.0127 1.4559 C 0 0 0 0 0 3.2459 -8.2508 1.4390 C 0 0 0 0 0 1.8619 -8.2625 1.4360 C 0 0 0 0 0 1.1277 -7.0636 1.4483 C 0 0 0 0 0 1.8268 -5.8465 1.4582 C 0 0 0 0 0 3.2304 -5.7998 1.4647 C 0 0 0 0 0 1.2018 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9393 -5.7297 1.4577 C 0 0 0 0 0 -0.3403 -7.0666 1.4522 C 0 0 0 0 0 -0.7054 -3.2343 1.4507 C 0 0 0 0 0 -1.0824 -2.6229 2.6498 C 0 0 0 0 0 -1.5834 -1.3194 2.6356 C 0 0 0 0 0 -1.7135 -0.6200 1.4410 C 0 0 0 0 0 -1.3300 -1.2442 0.2412 C 0 0 0 0 0 -0.8220 -2.5498 0.2365 C 0 0 0 0 0 -1.0189 -8.1034 1.4492 O 0 0 0 0 0 5.2946 -7.0722 1.4605 O 0 0 0 0 0 3.8284 -9.1828 1.4284 H 0 0 0 0 0 1.3059 -9.2156 1.4228 H 0 0 0 0 0 3.7502 -4.8330 1.4759 H 0 0 0 0 0 -2.0384 -5.6760 1.4575 H 0 0 0 0 0 -0.9833 -3.1657 3.6013 H 0 0 0 0 0 -1.8782 -0.8390 3.5810 H 0 0 0 0 0 -2.1044 0.4072 1.4172 H 0 0 0 0 0 -1.4797 -0.5038 -0.9086 O 0 0 0 0 0 -0.5145 -3.0277 -0.7044 H 0 0 0 0 0 5.6390 -6.1663 1.4833 H 0 0 0 0 0 -1.1894 -1.0477 -1.6555 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 26 29 1 0 0 0 M END FL_009.MOL 8 7 9 X 4.220 3-atoms Rotated coordinates no 40 42 0 0 0 0 0 0 0 0 0 3.9430 -6.9981 1.5029 C 0 0 0 0 0 3.2480 -8.2261 1.4795 C 0 0 0 0 0 1.8536 -8.2659 1.4594 C 0 0 0 0 0 1.1287 -7.0663 1.4595 C 0 0 0 0 0 1.8252 -5.8503 1.4713 C 0 0 0 0 0 3.2331 -5.8095 1.4983 C 0 0 0 0 0 1.2001 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9386 -5.7350 1.4577 C 0 0 0 0 0 -0.3444 -7.0691 1.4531 C 0 0 0 0 0 -0.7254 -3.2470 1.4321 C 0 0 0 0 0 -1.8967 -2.9603 2.1369 C 0 0 0 0 0 -2.4351 -1.6664 2.0852 C 0 0 0 0 0 -1.8164 -0.6608 1.3219 C 0 0 0 0 0 -0.6289 -0.9705 0.6159 C 0 0 0 0 0 -0.0873 -2.2571 0.6731 C 0 0 0 0 0 -1.0171 -8.1096 1.4425 O 0 0 0 0 0 5.0428 -7.0031 1.5257 H 0 0 0 0 0 4.0273 -9.3609 1.4796 O 0 0 0 0 0 1.3030 -9.2200 1.4440 H 0 0 0 0 0 3.7483 -4.8384 1.5186 H 0 0 0 0 0 -2.0377 -5.6789 1.4483 H 0 0 0 0 0 -2.3966 -3.7277 2.7475 H 0 0 0 0 0 -3.5362 -1.4080 2.8846 O 0 0 0 0 0 -2.4410 0.5658 1.1942 O 0 0 0 0 0 -0.0641 0.0767 -0.0838 O 0 0 0 0 0 0.8378 -2.5083 0.1334 H 0 0 0 0 0 1.0405 -0.2486 -0.9223 C 0 0 0 0 0 -1.7232 1.6534 1.7833 C 0 0 0 0 0 -4.7207 -1.0626 2.1623 C 0 0 0 0 0 3.4368 -10.1285 1.4526 H 0 0 0 0 0 1.2758 0.7247 -1.4244 H 0 0 0 0 0 1.9092 -0.5965 -0.3117 H 0 0 0 0 0 0.7526 -1.0223 -1.6747 H 0 0 0 0 0 -2.4000 2.5284 1.6165 H 0 0 0 0 0 -1.5680 1.4717 2.8735 H 0 0 0 0 0 -0.7455 1.7994 1.2637 H 0 0 0 0 0 -5.4748 -0.8905 2.9706 H 0 0 0 0 0 -4.5599 -0.1359 1.5601 H 0 0 0 0 0 -5.0308 -1.9096 1.5040 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 31 1 0 0 0 24 30 1 0 0 0 25 29 1 0 0 0 26 28 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 29 35 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 30 38 1 0 0 0 30 39 1 0 0 0 30 40 1 0 0 0 M END FL_010.MOL 8 7 9 X 4.160 3-atoms Rotated coordinates no 39 41 0 0 0 0 0 0 0 0 0 3.9986 -6.9107 1.4807 C 0 0 0 0 0 3.3832 -8.1702 1.4679 C 0 0 0 0 0 1.9832 -8.2423 1.4578 C 0 0 0 0 0 1.1851 -7.0677 1.4611 C 0 0 0 0 0 1.8558 -5.8253 1.4657 C 0 0 0 0 0 3.2520 -5.7247 1.4767 C 0 0 0 0 0 1.2030 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9068 -5.7629 1.4577 C 0 0 0 0 0 -0.2659 -7.0895 1.4638 C 0 0 0 0 0 -0.7072 -3.2397 1.4400 C 0 0 0 0 0 -1.0817 -2.6223 2.6306 C 0 0 0 0 0 -1.5807 -1.3055 2.6123 C 0 0 0 0 0 -1.7014 -0.6173 1.3920 C 0 0 0 0 0 -1.3207 -1.2709 0.1954 C 0 0 0 0 0 -0.8222 -2.5713 0.2134 C 0 0 0 0 0 -0.9653 -8.1218 1.4686 O 0 0 0 0 0 5.3682 -6.9067 1.4947 O 0 0 0 0 0 3.9861 -9.0889 1.4669 H 0 0 0 0 0 1.4785 -9.5075 1.4426 O 0 0 0 0 0 3.7326 -4.7380 1.4856 H 0 0 0 0 0 -2.2816 -5.6937 1.4451 O 0 0 0 0 0 -0.9933 -3.1428 3.5958 H 0 0 0 0 0 -1.8592 -0.7884 3.8598 O 0 0 0 0 0 -2.1911 0.6688 1.3962 O 0 0 0 0 0 -1.4867 -0.5070 -0.9484 O 0 0 0 0 0 -0.5218 -3.0778 -0.7140 H 0 0 0 0 0 -1.0483 -1.1017 -2.1654 C 0 0 0 0 0 -2.7488 0.3244 3.9187 C 0 0 0 0 0 -2.6134 -6.6087 1.4800 H 0 0 0 0 0 5.6706 -5.9855 1.5134 H 0 0 0 0 0 0.5055 -9.4861 1.4425 H 0 0 0 0 0 -2.2085 0.9893 0.4810 H 0 0 0 0 0 -1.2469 -0.3054 -2.9269 H 0 0 0 0 0 0.0416 -1.3407 -2.1169 H 0 0 0 0 0 -1.6435 -2.0203 -2.3885 H 0 0 0 0 0 -3.0219 0.3775 5.0030 H 0 0 0 0 0 -2.2159 1.2520 3.5958 H 0 0 0 0 0 -3.6510 0.1539 3.2851 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 31 1 0 0 0 20 32 1 0 0 0 22 30 1 0 0 0 24 29 1 0 0 0 25 33 1 0 0 0 26 28 1 0 0 0 28 34 1 0 0 0 28 35 1 0 0 0 28 36 1 0 0 0 29 37 1 0 0 0 29 38 1 0 0 0 29 39 1 0 0 0 M END FL_011.MOL 8 7 9 X 4.000 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9964 -6.9141 1.4522 C 0 0 0 0 0 3.3792 -8.1725 1.4248 C 0 0 0 0 0 1.9790 -8.2431 1.4216 C 0 0 0 0 0 1.1826 -7.0677 1.4413 C 0 0 0 0 0 1.8550 -5.8261 1.4555 C 0 0 0 0 0 3.2512 -5.7268 1.4665 C 0 0 0 0 0 1.2026 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9084 -5.7616 1.4577 C 0 0 0 0 0 -0.2681 -7.0889 1.4504 C 0 0 0 0 0 -0.7096 -3.2386 1.4445 C 0 0 0 0 0 -1.0782 -2.6285 2.6429 C 0 0 0 0 0 -1.5877 -1.3176 2.6052 C 0 0 0 0 0 -1.7291 -0.6203 1.4010 C 0 0 0 0 0 -1.3465 -1.2630 0.2138 C 0 0 0 0 0 -0.8336 -2.5666 0.2229 C 0 0 0 0 0 -0.9695 -8.1197 1.4511 O 0 0 0 0 0 5.3659 -6.9114 1.4625 O 0 0 0 0 0 3.9812 -9.0916 1.4072 H 0 0 0 0 0 1.4727 -9.5073 1.3979 O 0 0 0 0 0 3.7335 -4.7410 1.4866 H 0 0 0 0 0 -2.2826 -5.6914 1.4520 O 0 0 0 0 0 -0.9852 -3.1488 3.6061 H 0 0 0 0 0 -1.9319 -0.7683 3.8176 O 0 0 0 0 0 -2.1257 0.4032 1.3683 H 0 0 0 0 0 -1.5017 -0.5384 -0.9448 O 0 0 0 0 0 -0.5341 -3.0563 -0.7138 H 0 0 0 0 0 5.6698 -5.9909 1.4974 H 0 0 0 0 0 0.4997 -9.4853 1.4087 H 0 0 0 0 0 -2.6149 -6.6060 1.4988 H 0 0 0 0 0 -2.2797 0.1214 3.6564 H 0 0 0 0 0 -1.2101 -1.0911 -1.6851 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 22 30 1 0 0 0 24 31 1 0 0 0 26 32 1 0 0 0 M END FL_012.MOL 8 7 9 X 3.930 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9435 -6.9945 1.4157 C 0 0 0 0 0 3.2479 -8.2225 1.3906 C 0 0 0 0 0 1.8535 -8.2633 1.3973 C 0 0 0 0 0 1.1276 -7.0642 1.4263 C 0 0 0 0 0 1.8251 -5.8485 1.4423 C 0 0 0 0 0 3.2334 -5.8066 1.4418 C 0 0 0 0 0 1.1990 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9406 -5.7308 1.4577 C 0 0 0 0 0 -0.3457 -7.0660 1.4417 C 0 0 0 0 0 -0.7095 -3.2385 1.4432 C 0 0 0 0 0 -1.0848 -2.6150 2.6409 C 0 0 0 0 0 -1.5939 -1.3220 2.6289 C 0 0 0 0 0 -1.7224 -0.6490 1.4011 C 0 0 0 0 0 -1.3461 -1.2645 0.1980 C 0 0 0 0 0 -0.8370 -2.5594 0.2264 C 0 0 0 0 0 -1.0196 -8.1056 1.4372 O 0 0 0 0 0 5.0434 -6.9989 1.4127 H 0 0 0 0 0 4.0282 -9.3567 1.3602 O 0 0 0 0 0 1.3045 -9.2182 1.3795 H 0 0 0 0 0 3.7463 -4.8340 1.4631 H 0 0 0 0 0 -2.0395 -5.6736 1.4638 H 0 0 0 0 0 -0.9754 -3.1509 3.5964 H 0 0 0 0 0 -1.8956 -0.8186 3.5581 H 0 0 0 0 0 -2.2283 0.6270 1.4531 O 0 0 0 0 0 -1.4484 -0.7298 -0.7566 H 0 0 0 0 0 -0.5332 -3.0500 -0.7113 H 0 0 0 0 0 3.4379 -10.1245 1.3399 H 0 0 0 0 0 -2.2444 0.9812 0.5516 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 25 29 1 0 0 0 M END FL_013.MOL 8 7 9 X 3.920 3-atoms Rotated coordinates no 38 40 0 0 0 0 0 0 0 0 0 3.9334 -7.0321 1.6849 C 0 0 0 0 0 3.2419 -8.2579 1.6782 C 0 0 0 0 0 1.8572 -8.2666 1.6036 C 0 0 0 0 0 1.1274 -7.0699 1.5327 C 0 0 0 0 0 1.8213 -5.8503 1.5274 C 0 0 0 0 0 3.2255 -5.8170 1.6098 C 0 0 0 0 0 1.2028 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9377 -5.7304 1.4577 C 0 0 0 0 0 -0.3414 -7.0683 1.4769 C 0 0 0 0 0 -0.7099 -3.2373 1.4463 C 0 0 0 0 0 -1.2167 -2.6887 2.6216 C 0 0 0 0 0 -1.7431 -1.3827 2.6188 C 0 0 0 0 0 -1.7590 -0.6366 1.4266 C 0 0 0 0 0 -1.2414 -1.2201 0.2446 C 0 0 0 0 0 -0.7124 -2.5092 0.2496 C 0 0 0 0 0 -1.0212 -8.1036 1.4548 O 0 0 0 0 0 5.2997 -7.0815 1.7619 O 0 0 0 0 0 3.8180 -9.1929 1.7376 H 0 0 0 0 0 1.3019 -9.2198 1.6018 H 0 0 0 0 0 3.9695 -4.6561 1.5910 O 0 0 0 0 0 -2.0371 -5.6744 1.4455 H 0 0 0 0 0 -1.2105 -3.2548 3.5654 H 0 0 0 0 0 -2.1603 -0.9436 3.8564 O 0 0 0 0 0 -2.2836 0.6350 1.4410 O 0 0 0 0 0 -1.3169 -0.4036 -0.8713 O 0 0 0 0 0 -0.3006 -2.9586 -0.6648 H 0 0 0 0 0 -0.7212 -0.9110 -2.0610 C 0 0 0 0 0 -3.0319 0.1843 3.8917 C 0 0 0 0 0 5.6373 -6.1708 1.7826 H 0 0 0 0 0 3.3746 -3.9214 1.8066 H 0 0 0 0 0 -2.2087 1.0051 0.5473 H 0 0 0 0 0 -0.8682 -0.0797 -2.7968 H 0 0 0 0 0 0.3659 -1.1131 -1.9027 H 0 0 0 0 0 -1.2483 -1.8361 -2.3987 H 0 0 0 0 0 -3.3934 0.1937 4.9515 H 0 0 0 0 0 -2.4592 1.1143 3.6569 H 0 0 0 0 0 -3.8806 0.0573 3.1784 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 30 1 0 0 0 21 31 1 0 0 0 24 29 1 0 0 0 25 32 1 0 0 0 26 28 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 28 35 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 29 38 1 0 0 0 M END FL_014.MOL 8 7 9 X 3.920 3-atoms Rotated coordinates no 50 52 0 0 0 0 0 0 0 0 0 3.9547 -6.9773 1.6499 C 0 0 0 0 0 3.2656 -8.2085 1.6775 C 0 0 0 0 0 1.8724 -8.2572 1.6252 C 0 0 0 0 0 1.1418 -7.0635 1.5463 C 0 0 0 0 0 1.8321 -5.8443 1.5239 C 0 0 0 0 0 3.2396 -5.7945 1.5720 C 0 0 0 0 0 1.2016 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9303 -5.7426 1.4577 C 0 0 0 0 0 -0.3307 -7.0718 1.4928 C 0 0 0 0 0 -0.7153 -3.2484 1.4556 C 0 0 0 0 0 -1.9419 -2.9743 2.0842 C 0 0 0 0 0 -2.4517 -1.6860 2.1073 C 0 0 0 0 0 -1.7324 -0.6342 1.4932 C 0 0 0 0 0 -0.5100 -0.9096 0.8521 C 0 0 0 0 0 -0.0097 -2.2060 0.8410 C 0 0 0 0 0 -0.9969 -8.1175 1.4794 O 0 0 0 0 0 5.0541 -6.9744 1.6939 H 0 0 0 0 0 4.0505 -9.3372 1.7605 O 0 0 0 0 0 1.3275 -9.2147 1.6446 H 0 0 0 0 0 3.7494 -4.8206 1.5523 H 0 0 0 0 0 -2.0285 -5.6955 1.4265 H 0 0 0 0 0 -2.5014 -3.7905 2.5690 H 0 0 0 0 0 -3.4080 -1.4616 2.5998 H 0 0 0 0 0 -2.2710 0.5937 1.5879 O 0 0 0 0 0 0.0510 -0.0976 0.3651 H 0 0 0 0 0 0.9539 -2.4184 0.3505 H 0 0 0 0 0 -1.6244 2.0237 0.6847 SI 0 0 0 0 0 -1.5333 1.6028 -1.0750 C 0 0 0 0 0 0.0106 2.4493 1.3438 C 0 0 0 0 0 -2.8740 3.3027 1.0741 C 0 0 0 0 0 -2.5250 4.5748 0.3419 C 0 0 0 0 0 -4.2265 2.7898 0.6402 C 0 0 0 0 0 -2.8507 3.5184 2.5690 C 0 0 0 0 0 3.4632 -10.1070 1.7829 H 0 0 0 0 0 -0.5104 1.7547 -1.4926 H 0 0 0 0 0 -1.7982 0.5307 -1.2440 H 0 0 0 0 0 -2.2356 2.2112 -1.6925 H 0 0 0 0 0 0.8407 1.9559 0.7865 H 0 0 0 0 0 0.1994 3.5488 1.3028 H 0 0 0 0 0 0.1057 2.1446 2.4135 H 0 0 0 0 0 -3.3035 5.3574 0.5209 H 0 0 0 0 0 -1.5432 4.9797 0.6926 H 0 0 0 0 0 -2.4666 4.3916 -0.7601 H 0 0 0 0 0 -5.0354 3.4958 0.9521 H 0 0 0 0 0 -4.2705 2.6827 -0.4719 H 0 0 0 0 0 -4.4300 1.7942 1.1089 H 0 0 0 0 0 -3.6137 4.2762 2.8731 H 0 0 0 0 0 -3.0757 2.5595 3.0998 H 0 0 0 0 0 -1.8458 3.8847 2.8960 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 35 1 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 29 38 1 0 0 0 30 39 1 0 0 0 30 40 1 0 0 0 30 41 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 32 42 1 0 0 0 32 43 1 0 0 0 32 44 1 0 0 0 33 45 1 0 0 0 33 46 1 0 0 0 33 47 1 0 0 0 34 48 1 0 0 0 34 49 1 0 0 0 34 50 1 0 0 0 M END FL_015.MOL 8 7 9 X 3.890 3-atoms Rotated coordinates no 37 39 0 0 0 0 0 0 0 0 0 3.9351 -7.0010 1.6263 C 0 0 0 0 0 3.2378 -8.2279 1.6143 C 0 0 0 0 0 1.8446 -8.2657 1.5554 C 0 0 0 0 0 1.1225 -7.0650 1.5069 C 0 0 0 0 0 1.8217 -5.8501 1.5127 C 0 0 0 0 0 3.2287 -5.8115 1.5747 C 0 0 0 0 0 1.1985 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9426 -5.7297 1.4577 C 0 0 0 0 0 -0.3498 -7.0656 1.4607 C 0 0 0 0 0 -0.7223 -3.2408 1.4449 C 0 0 0 0 0 -1.2549 -2.7031 2.6137 C 0 0 0 0 0 -1.8027 -1.4053 2.6068 C 0 0 0 0 0 -1.8171 -0.6582 1.4153 C 0 0 0 0 0 -1.2724 -1.2301 0.2403 C 0 0 0 0 0 -0.7193 -2.5089 0.2505 C 0 0 0 0 0 -1.0242 -8.1048 1.4289 O 0 0 0 0 0 5.0340 -7.0074 1.6790 H 0 0 0 0 0 4.0157 -9.3628 1.6647 O 0 0 0 0 0 1.2925 -9.2190 1.5474 H 0 0 0 0 0 3.7455 -4.8412 1.5858 H 0 0 0 0 0 -2.0415 -5.6700 1.4542 H 0 0 0 0 0 -1.2541 -3.2722 3.5558 H 0 0 0 0 0 -2.2520 -0.9830 3.8390 O 0 0 0 0 0 -2.3671 0.6034 1.4222 O 0 0 0 0 0 -1.3568 -0.4164 -0.8775 O 0 0 0 0 0 -0.2848 -2.9471 -0.6586 H 0 0 0 0 0 -0.6992 -0.8891 -2.0485 C 0 0 0 0 0 -3.0758 0.1795 3.8798 C 0 0 0 0 0 3.4241 -10.1298 1.6739 H 0 0 0 0 0 -2.2826 0.9757 0.5305 H 0 0 0 0 0 -0.8485 -0.0556 -2.7813 H 0 0 0 0 0 0.3876 -1.0543 -1.8512 H 0 0 0 0 0 -1.1821 -1.8277 -2.4142 H 0 0 0 0 0 -3.4329 0.2005 4.9409 H 0 0 0 0 0 -2.4698 1.0884 3.6456 H 0 0 0 0 0 -3.9317 0.0876 3.1697 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 30 1 0 0 0 24 29 1 0 0 0 25 31 1 0 0 0 26 28 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 29 35 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 M END FL_016.MOL 8 7 9 X 3.780 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9265 -7.0126 1.4840 C 0 0 0 0 0 3.2484 -8.2509 1.4679 C 0 0 0 0 0 1.8646 -8.2623 1.4534 C 0 0 0 0 0 1.1302 -7.0634 1.4562 C 0 0 0 0 0 1.8287 -5.8456 1.4656 C 0 0 0 0 0 3.2324 -5.7996 1.4820 C 0 0 0 0 0 1.2026 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9374 -5.7316 1.4577 C 0 0 0 0 0 -0.3377 -7.0677 1.4517 C 0 0 0 0 0 -0.7095 -3.2388 1.4477 C 0 0 0 0 0 -1.0921 -2.6263 2.6491 C 0 0 0 0 0 -1.6099 -1.3370 2.6462 C 0 0 0 0 0 -1.7389 -0.6543 1.4235 C 0 0 0 0 0 -1.3533 -1.2571 0.2173 C 0 0 0 0 0 -0.8355 -2.5492 0.2370 C 0 0 0 0 0 -1.0149 -8.1056 1.4421 O 0 0 0 0 0 5.2968 -7.0720 1.4997 O 0 0 0 0 0 3.8308 -9.1829 1.4668 H 0 0 0 0 0 1.3081 -9.2151 1.4398 H 0 0 0 0 0 3.7527 -4.8330 1.4937 H 0 0 0 0 0 -2.0365 -5.6786 1.4587 H 0 0 0 0 0 -0.9813 -3.1686 3.6008 H 0 0 0 0 0 -1.9180 -0.8432 3.5785 H 0 0 0 0 0 -2.2556 0.6170 1.4857 O 0 0 0 0 0 -1.4551 -0.7145 -0.7328 H 0 0 0 0 0 -0.5234 -3.0289 -0.7033 H 0 0 0 0 0 5.6404 -6.1659 1.5197 H 0 0 0 0 0 -2.2800 0.9770 0.5867 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 25 29 1 0 0 0 M END FL_017.MOL 8 7 9 X 3.750 3-atoms Rotated coordinates no 30 32 0 0 0 0 0 0 0 0 0 3.9363 -7.0324 1.6392 C 0 0 0 0 0 3.2449 -8.2579 1.6324 C 0 0 0 0 0 1.8595 -8.2670 1.5712 C 0 0 0 0 0 1.1286 -7.0704 1.5159 C 0 0 0 0 0 1.8223 -5.8507 1.5116 C 0 0 0 0 0 3.2271 -5.8172 1.5755 C 0 0 0 0 0 1.2025 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9375 -5.7304 1.4577 C 0 0 0 0 0 -0.3405 -7.0686 1.4692 C 0 0 0 0 0 -0.7067 -3.2355 1.4485 C 0 0 0 0 0 -1.1458 -2.6504 2.6399 C 0 0 0 0 0 -1.6592 -1.3516 2.6259 C 0 0 0 0 0 -1.7380 -0.6305 1.4400 C 0 0 0 0 0 -1.2888 -1.2268 0.2482 C 0 0 0 0 0 -0.7698 -2.5280 0.2438 C 0 0 0 0 0 -1.0205 -8.1035 1.4462 O 0 0 0 0 0 5.3032 -7.0798 1.7031 O 0 0 0 0 0 3.8212 -9.1935 1.6769 H 0 0 0 0 0 1.3045 -9.2205 1.5655 H 0 0 0 0 0 3.9717 -4.6569 1.5516 O 0 0 0 0 0 -2.0369 -5.6752 1.4483 H 0 0 0 0 0 -1.0875 -3.2108 3.5844 H 0 0 0 0 0 -2.0055 -0.8933 3.5651 H 0 0 0 0 0 -2.1391 0.3928 1.4154 H 0 0 0 0 0 -1.3882 -0.4642 -0.8919 O 0 0 0 0 0 -0.4173 -2.9877 -0.6907 H 0 0 0 0 0 5.6400 -6.1688 1.7208 H 0 0 0 0 0 3.3709 -3.9159 1.7236 H 0 0 0 0 0 -1.0495 -0.9870 -1.6338 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 21 29 1 0 0 0 26 30 1 0 0 0 M END FL_018.MOL 8 7 9 X 3.530 3-atoms Rotated coordinates no 30 32 0 0 0 0 0 0 0 0 0 3.9999 -6.9101 1.4353 C 0 0 0 0 0 3.3846 -8.1691 1.3963 C 0 0 0 0 0 1.9844 -8.2413 1.3885 C 0 0 0 0 0 1.1865 -7.0672 1.4213 C 0 0 0 0 0 1.8570 -5.8248 1.4449 C 0 0 0 0 0 3.2534 -5.7242 1.4561 C 0 0 0 0 0 1.2029 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9057 -5.7637 1.4577 C 0 0 0 0 0 -0.2646 -7.0898 1.4369 C 0 0 0 0 0 -0.7095 -3.2412 1.4497 C 0 0 0 0 0 -1.0743 -2.6221 2.6513 C 0 0 0 0 0 -1.5832 -1.3241 2.6330 C 0 0 0 0 0 -1.7283 -0.6440 1.4237 C 0 0 0 0 0 -1.3607 -1.2599 0.2273 C 0 0 0 0 0 -0.8491 -2.5568 0.2361 C 0 0 0 0 0 -0.9639 -8.1221 1.4319 O 0 0 0 0 0 5.3695 -6.9059 1.4509 O 0 0 0 0 0 3.9877 -9.0874 1.3747 H 0 0 0 0 0 1.4793 -9.5058 1.3488 O 0 0 0 0 0 3.7341 -4.7379 1.4810 H 0 0 0 0 0 -2.2808 -5.6956 1.4705 O 0 0 0 0 0 -0.9641 -3.1613 3.6039 H 0 0 0 0 0 -1.8740 -0.8390 3.5765 H 0 0 0 0 0 -2.1332 0.3787 1.4143 H 0 0 0 0 0 -1.4739 -0.7245 -0.7266 H 0 0 0 0 0 -0.5571 -3.0448 -0.7056 H 0 0 0 0 0 5.6712 -5.9849 1.4873 H 0 0 0 0 0 0.5062 -9.4839 1.3420 H 0 0 0 0 0 -2.6112 -6.6118 1.4648 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 22 30 1 0 0 0 M END FL_019.MOL 8 7 9 X 3.550 3-atoms Rotated coordinates no 33 35 0 0 0 0 0 0 0 0 0 3.9643 -6.9511 1.4881 C 0 0 0 0 0 3.3251 -8.2001 1.4599 C 0 0 0 0 0 1.9236 -8.2519 1.4394 C 0 0 0 0 0 1.1437 -7.0672 1.4482 C 0 0 0 0 0 1.8373 -5.8407 1.4633 C 0 0 0 0 0 3.2348 -5.7560 1.4858 C 0 0 0 0 0 1.1996 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9297 -5.7360 1.4577 C 0 0 0 0 0 -0.3182 -7.0643 1.4499 C 0 0 0 0 0 -0.7148 -3.2408 1.4538 C 0 0 0 0 0 -1.0781 -2.6281 2.6610 C 0 0 0 0 0 -1.6004 -1.3403 2.6658 C 0 0 0 0 0 -1.7583 -0.6620 1.4442 C 0 0 0 0 0 -1.3899 -1.2645 0.2320 C 0 0 0 0 0 -0.8650 -2.5535 0.2443 C 0 0 0 0 0 -1.0075 -8.1010 1.4456 O 0 0 0 0 0 5.3389 -7.0064 1.5125 O 0 0 0 0 0 3.9138 -9.1281 1.4547 H 0 0 0 0 0 1.4016 -9.5106 1.4115 O 0 0 0 0 0 3.7171 -4.7709 1.5008 H 0 0 0 0 0 -2.0289 -5.6939 1.4603 H 0 0 0 0 0 -0.9503 -3.1696 3.6111 H 0 0 0 0 0 -1.8895 -0.8449 3.6034 H 0 0 0 0 0 -2.2838 0.6052 1.5119 O 0 0 0 0 0 -1.5119 -0.7237 -0.7169 H 0 0 0 0 0 -0.5667 -3.0328 -0.7009 H 0 0 0 0 0 6.0222 -5.7601 1.6210 C 0 0 0 0 0 0.4285 -9.4747 1.4013 H 0 0 0 0 0 -2.3426 0.9563 0.6109 H 0 0 0 0 0 7.1000 -6.0606 1.6576 H 0 0 0 0 0 5.8198 -5.1228 0.7265 H 0 0 0 0 0 5.7272 -5.2304 2.5591 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 25 30 1 0 0 0 28 31 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 M END FL_020.MOL 8 7 9 X 3.500 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9651 -6.9543 1.4232 C 0 0 0 0 0 3.3261 -8.1875 1.3988 C 0 0 0 0 0 1.9184 -8.2504 1.4024 C 0 0 0 0 0 1.1415 -7.0687 1.4299 C 0 0 0 0 0 1.8358 -5.8413 1.4449 C 0 0 0 0 0 3.2353 -5.7680 1.4448 C 0 0 0 0 0 1.1980 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9327 -5.7346 1.4577 C 0 0 0 0 0 -0.3232 -7.0631 1.4474 C 0 0 0 0 0 -0.7123 -3.2369 1.4484 C 0 0 0 0 0 -1.0817 -2.6195 2.6467 C 0 0 0 0 0 -1.5885 -1.3183 2.6281 C 0 0 0 0 0 -1.7320 -0.6276 1.4300 C 0 0 0 0 0 -1.3563 -1.2579 0.2304 C 0 0 0 0 0 -0.8439 -2.5615 0.2305 C 0 0 0 0 0 -1.0108 -8.1002 1.4507 O 0 0 0 0 0 5.0658 -6.9111 1.4236 H 0 0 0 0 0 3.8983 -9.1261 1.3775 H 0 0 0 0 0 1.4024 -9.5119 1.3754 O 0 0 0 0 0 3.7309 -4.7880 1.4623 H 0 0 0 0 0 -2.0323 -5.6915 1.4604 H 0 0 0 0 0 -0.9716 -3.1559 3.6005 H 0 0 0 0 0 -1.8774 -0.8340 3.5736 H 0 0 0 0 0 -2.1270 0.3980 1.4019 H 0 0 0 0 0 -1.5195 -0.5258 -0.9225 O 0 0 0 0 0 -0.5453 -3.0462 -0.7098 H 0 0 0 0 0 0.4297 -9.4817 1.3864 H 0 0 0 0 0 -1.2218 -1.0678 -1.6678 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 20 28 1 0 0 0 26 29 1 0 0 0 M END FL_021.MOL 8 7 9 X 3.500 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9408 -7.0313 1.5854 C 0 0 0 0 0 3.2500 -8.2571 1.5826 C 0 0 0 0 0 1.8637 -8.2669 1.5401 C 0 0 0 0 0 1.1317 -7.0704 1.5010 C 0 0 0 0 0 1.8244 -5.8500 1.4961 C 0 0 0 0 0 3.2303 -5.8162 1.5384 C 0 0 0 0 0 1.2028 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9361 -5.7313 1.4577 C 0 0 0 0 0 -0.3380 -7.0689 1.4687 C 0 0 0 0 0 -0.7045 -3.2359 1.4490 C 0 0 0 0 0 -1.1100 -2.6360 2.6472 C 0 0 0 0 0 -1.6150 -1.3366 2.6332 C 0 0 0 0 0 -1.7154 -0.6366 1.4307 C 0 0 0 0 0 -1.3095 -1.2345 0.2374 C 0 0 0 0 0 -0.8002 -2.5324 0.2426 C 0 0 0 0 0 -1.0176 -8.1044 1.4545 O 0 0 0 0 0 5.3087 -7.0793 1.6323 O 0 0 0 0 0 3.8279 -9.1925 1.6162 H 0 0 0 0 0 1.3091 -9.2206 1.5364 H 0 0 0 0 0 3.9758 -4.6562 1.5201 O 0 0 0 0 0 -2.0351 -5.6772 1.4474 H 0 0 0 0 0 -1.0292 -3.1889 3.5951 H 0 0 0 0 0 -1.9333 -0.8637 3.5742 H 0 0 0 0 0 -2.1136 0.3895 1.4233 H 0 0 0 0 0 -1.3880 -0.6827 -0.7110 H 0 0 0 0 0 -0.4736 -3.0042 -0.6964 H 0 0 0 0 0 5.6461 -6.1685 1.6406 H 0 0 0 0 0 3.3662 -3.9093 1.6192 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 21 29 1 0 0 0 M END FL_022.MOL 8 7 9 X 3.470 3-atoms Rotated coordinates no 28 30 0 0 0 0 0 0 0 0 0 3.9255 -7.0112 1.4338 C 0 0 0 0 0 3.2472 -8.2493 1.4110 C 0 0 0 0 0 1.8632 -8.2617 1.4164 C 0 0 0 0 0 1.1283 -7.0632 1.4375 C 0 0 0 0 0 1.8274 -5.8458 1.4494 C 0 0 0 0 0 3.2312 -5.7987 1.4528 C 0 0 0 0 0 1.2020 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9387 -5.7303 1.4577 C 0 0 0 0 0 -0.3399 -7.0669 1.4488 C 0 0 0 0 0 -0.7059 -3.2359 1.4533 C 0 0 0 0 0 -1.0745 -2.6258 2.6579 C 0 0 0 0 0 -1.5819 -1.3274 2.6482 C 0 0 0 0 0 -1.7218 -0.6385 1.4432 C 0 0 0 0 0 -1.3495 -1.2453 0.2436 C 0 0 0 0 0 -0.8378 -2.5423 0.2447 C 0 0 0 0 0 -1.0180 -8.1041 1.4504 O 0 0 0 0 0 5.2960 -7.0708 1.4358 O 0 0 0 0 0 3.8302 -9.1808 1.3896 H 0 0 0 0 0 1.3075 -9.2153 1.4036 H 0 0 0 0 0 3.7500 -4.8314 1.4706 H 0 0 0 0 0 -2.0377 -5.6765 1.4588 H 0 0 0 0 0 -0.9634 -3.1709 3.6072 H 0 0 0 0 0 -1.8719 -0.8475 3.5947 H 0 0 0 0 0 -2.1244 0.3855 1.4400 H 0 0 0 0 0 -1.4564 -0.7007 -0.7065 H 0 0 0 0 0 -0.5366 -3.0208 -0.6991 H 0 0 0 0 0 5.6406 -6.1650 1.4542 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 M END FL_023.MOL 8 7 9 X 3.430 3-atoms Rotated coordinates no 58 60 0 0 0 0 0 0 0 0 0 3.9567 -6.9827 1.4868 C 0 0 0 0 0 3.2675 -8.2142 1.4925 C 0 0 0 0 0 1.8729 -8.2608 1.4899 C 0 0 0 0 0 1.1420 -7.0648 1.4779 C 0 0 0 0 0 1.8324 -5.8459 1.4701 C 0 0 0 0 0 3.2405 -5.7979 1.4759 C 0 0 0 0 0 1.2022 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9312 -5.7413 1.4577 C 0 0 0 0 0 -0.3316 -7.0716 1.4753 C 0 0 0 0 0 -0.7126 -3.2451 1.4479 C 0 0 0 0 0 -1.9786 -2.9832 1.9779 C 0 0 0 0 0 -2.5003 -1.6820 1.9552 C 0 0 0 0 0 -1.7509 -0.6087 1.4142 C 0 0 0 0 0 -0.4558 -0.9056 0.9157 C 0 0 0 0 0 0.0545 -2.1996 0.9148 C 0 0 0 0 0 -0.9978 -8.1170 1.4852 O 0 0 0 0 0 5.0568 -6.9820 1.4926 H 0 0 0 0 0 4.0527 -9.3456 1.5025 O 0 0 0 0 0 1.3269 -9.2176 1.4972 H 0 0 0 0 0 3.7513 -4.8244 1.4752 H 0 0 0 0 0 -2.0306 -5.6951 1.4373 H 0 0 0 0 0 -2.5900 -3.7877 2.4161 H 0 0 0 0 0 -3.7979 -1.5765 2.4179 O 0 0 0 0 0 -2.2756 0.6255 1.4452 O 0 0 0 0 0 0.2392 0.2066 0.4595 O 0 0 0 0 0 1.0556 -2.4133 0.5118 H 0 0 0 0 0 -1.5852 2.1186 0.6706 SI 0 0 0 0 0 -1.4014 1.9175 -1.1232 C 0 0 0 0 0 -0.0842 2.6476 1.5392 C 0 0 0 0 0 -2.9666 3.2904 1.0182 C 0 0 0 0 0 -2.5851 4.6636 0.5215 C 0 0 0 0 0 -4.1946 2.7919 0.2949 C 0 0 0 0 0 -3.2055 3.3159 2.5084 C 0 0 0 0 0 1.3912 -0.0645 -0.3369 C 0 0 0 0 0 -4.1387 -0.3624 3.0834 C 0 0 0 0 0 3.4648 -10.1154 1.5077 H 0 0 0 0 0 -0.3562 1.6591 -1.4144 H 0 0 0 0 0 -2.0584 1.0994 -1.5031 H 0 0 0 0 0 -1.6816 2.8450 -1.6763 H 0 0 0 0 0 0.8092 2.6329 0.8715 H 0 0 0 0 0 -0.1731 3.6755 1.9614 H 0 0 0 0 0 0.1403 1.9588 2.3889 H 0 0 0 0 0 -3.3874 5.4044 0.7630 H 0 0 0 0 0 -1.6389 5.0128 1.0042 H 0 0 0 0 0 -2.4433 4.6611 -0.5877 H 0 0 0 0 0 -5.0641 3.4714 0.4732 H 0 0 0 0 0 -4.0085 2.7473 -0.8070 H 0 0 0 0 0 -4.4693 1.7686 0.6541 H 0 0 0 0 0 -4.0863 3.9573 2.7587 H 0 0 0 0 0 -3.4060 2.2816 2.8875 H 0 0 0 0 0 -2.3139 3.7276 3.0432 H 0 0 0 0 0 1.7273 0.9502 -0.6701 H 0 0 0 0 0 2.1804 -0.5521 0.2856 H 0 0 0 0 0 1.1241 -0.7055 -1.2108 H 0 0 0 0 0 -5.0185 -0.6461 3.7148 H 0 0 0 0 0 -3.2972 0.0127 3.7117 H 0 0 0 0 0 -4.4254 0.4043 2.3219 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 37 1 0 0 0 24 36 1 0 0 0 25 28 1 0 0 0 26 35 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 29 38 1 0 0 0 29 39 1 0 0 0 29 40 1 0 0 0 30 41 1 0 0 0 30 42 1 0 0 0 30 43 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 32 44 1 0 0 0 32 45 1 0 0 0 32 46 1 0 0 0 33 47 1 0 0 0 33 48 1 0 0 0 33 49 1 0 0 0 34 50 1 0 0 0 34 51 1 0 0 0 34 52 1 0 0 0 35 53 1 0 0 0 35 54 1 0 0 0 35 55 1 0 0 0 36 56 1 0 0 0 36 57 1 0 0 0 36 58 1 0 0 0 M END FL_024.MOL 8 7 9 X 3.400 3-atoms Rotated coordinates no 41 43 0 0 0 0 0 0 0 0 0 3.9281 -7.0265 1.7885 C 0 0 0 0 0 3.2381 -8.2529 1.7762 C 0 0 0 0 0 1.8560 -8.2637 1.6668 C 0 0 0 0 0 1.1278 -7.0685 1.5641 C 0 0 0 0 0 1.8209 -5.8484 1.5616 C 0 0 0 0 0 3.2224 -5.8126 1.6799 C 0 0 0 0 0 1.2033 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9370 -5.7311 1.4577 C 0 0 0 0 0 -0.3395 -7.0685 1.4735 C 0 0 0 0 0 -0.7117 -3.2380 1.4479 C 0 0 0 0 0 -1.3951 -2.7647 2.5646 C 0 0 0 0 0 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0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 31 1 0 0 0 21 32 1 0 0 0 24 30 1 0 0 0 25 29 1 0 0 0 26 28 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 28 35 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 29 38 1 0 0 0 30 39 1 0 0 0 30 40 1 0 0 0 30 41 1 0 0 0 M END FL_025.MOL 8 7 9 X 3.010 3-atoms Rotated coordinates no 50 52 0 0 0 0 0 0 0 0 0 3.9345 -6.9977 1.6303 C 0 0 0 0 0 3.2618 -8.2388 1.6391 C 0 0 0 0 0 1.8786 -8.2573 1.5878 C 0 0 0 0 0 1.1407 -7.0624 1.5273 C 0 0 0 0 0 1.8335 -5.8422 1.5166 C 0 0 0 0 0 3.2365 -5.7888 1.5662 C 0 0 0 0 0 1.2046 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9301 -5.7401 1.4577 C 0 0 0 0 0 -0.3274 -7.0713 1.4815 C 0 0 0 0 0 -0.7092 -3.2464 1.4507 C 0 0 0 0 0 -1.8979 -2.9498 2.1384 C 0 0 0 0 0 -2.4003 -1.6584 2.1529 C 0 0 0 0 0 -1.7142 -0.6288 1.4670 C 0 0 0 0 0 -0.5319 -0.9289 0.7647 C 0 0 0 0 0 -0.0358 -2.2269 0.7666 C 0 0 0 0 0 -0.9982 -8.1141 1.4646 O 0 0 0 0 0 5.3045 -7.0508 1.6862 O 0 0 0 0 0 3.8478 -9.1673 1.6886 H 0 0 0 0 0 1.3262 -9.2126 1.5927 H 0 0 0 0 0 3.7526 -4.8202 1.5586 H 0 0 0 0 0 -2.0287 -5.6926 1.4333 H 0 0 0 0 0 -2.4318 -3.7506 2.6751 H 0 0 0 0 0 -3.3259 -1.4144 2.6925 H 0 0 0 0 0 -2.2449 0.6032 1.5540 O 0 0 0 0 0 0.0003 -0.1368 0.2166 H 0 0 0 0 0 0.8984 -2.4582 0.2304 H 0 0 0 0 0 -1.6235 2.0150 0.6063 SI 0 0 0 0 0 -1.5770 1.5647 -1.1478 C 0 0 0 0 0 0.0245 2.4644 1.2126 C 0 0 0 0 0 -2.8703 3.2948 0.9999 C 0 0 0 0 0 -2.5343 4.5661 0.2608 C 0 0 0 0 0 -4.2231 2.7720 0.5788 C 0 0 0 0 0 -2.8378 3.5173 2.4936 C 0 0 0 0 0 5.6451 -6.1436 1.6863 H 0 0 0 0 0 -0.5381 1.5481 -1.5526 H 0 0 0 0 0 -2.0060 0.5465 -1.3109 H 0 0 0 0 0 -2.1662 2.2710 -1.7795 H 0 0 0 0 0 0.8312 1.8246 0.7854 H 0 0 0 0 0 0.2790 3.5212 0.9582 H 0 0 0 0 0 0.0887 2.3726 2.3232 H 0 0 0 0 0 -3.2906 5.3598 0.4814 H 0 0 0 0 0 -1.5309 4.9517 0.5694 H 0 0 0 0 0 -2.5293 4.3926 -0.8441 H 0 0 0 0 0 -5.0292 3.4972 0.8498 H 0 0 0 0 0 -4.2571 2.6130 -0.5275 H 0 0 0 0 0 -4.4377 1.8007 1.0916 H 0 0 0 0 0 -3.6172 4.2569 2.8015 H 0 0 0 0 0 -3.0333 2.5551 3.0308 H 0 0 0 0 0 -1.8402 3.9116 2.8097 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 35 1 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 29 38 1 0 0 0 30 39 1 0 0 0 30 40 1 0 0 0 30 41 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 32 42 1 0 0 0 32 43 1 0 0 0 32 44 1 0 0 0 33 45 1 0 0 0 33 46 1 0 0 0 33 47 1 0 0 0 34 48 1 0 0 0 34 49 1 0 0 0 34 50 1 0 0 0 M END FL_026.MOL 8 7 9 X 2.900 3-atoms Rotated coordinates no 37 39 0 0 0 0 0 0 0 0 0 3.9246 -7.0128 1.5144 C 0 0 0 0 0 3.2457 -8.2508 1.5018 C 0 0 0 0 0 1.8617 -8.2622 1.4811 C 0 0 0 0 0 1.1276 -7.0632 1.4705 C 0 0 0 0 0 1.8272 -5.8462 1.4770 C 0 0 0 0 0 3.2309 -5.7998 1.5007 C 0 0 0 0 0 1.2022 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9396 -5.7296 1.4577 C 0 0 0 0 0 -0.3405 -7.0661 1.4582 C 0 0 0 0 0 -0.7066 -3.2352 1.4421 C 0 0 0 0 0 -1.1300 -2.6413 2.6274 C 0 0 0 0 0 -1.6377 -1.3268 2.6142 C 0 0 0 0 0 -1.7170 -0.6186 1.4018 C 0 0 0 0 0 -1.2831 -1.2483 0.2101 C 0 0 0 0 0 -0.7781 -2.5464 0.2242 C 0 0 0 0 0 -1.0189 -8.1032 1.4479 O 0 0 0 0 0 5.2949 -7.0740 1.5397 O 0 0 0 0 0 3.8285 -9.1828 1.5101 H 0 0 0 0 0 1.3063 -9.2159 1.4734 H 0 0 0 0 0 3.7501 -4.8326 1.5127 H 0 0 0 0 0 -2.0388 -5.6753 1.4552 H 0 0 0 0 0 -1.0715 -3.1761 3.5874 H 0 0 0 0 0 -1.9810 -0.8510 3.8608 O 0 0 0 0 0 -2.2231 0.6615 1.4039 O 0 0 0 0 0 -1.4120 -0.4672 -0.9266 O 0 0 0 0 0 -0.4348 -3.0335 -0.6989 H 0 0 0 0 0 -0.8573 -1.0076 -2.1217 C 0 0 0 0 0 -2.7410 0.3530 3.9234 C 0 0 0 0 0 5.6408 -6.1685 1.5521 H 0 0 0 0 0 -2.1549 1.0160 0.5035 H 0 0 0 0 0 -1.0064 -0.1877 -2.8693 H 0 0 0 0 0 0.2292 -1.2304 -1.9895 H 0 0 0 0 0 -1.4137 -1.9270 -2.4269 H 0 0 0 0 0 -3.0245 0.4188 5.0048 H 0 0 0 0 0 -2.1069 1.2226 3.6243 H 0 0 0 0 0 -3.6466 0.2877 3.2744 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 30 1 0 0 0 24 29 1 0 0 0 25 31 1 0 0 0 26 28 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 29 35 1 0 0 0 29 36 1 0 0 0 29 37 1 0 0 0 M END FL_027.MOL 8 7 9 X 2.820 3-atoms Rotated coordinates no 58 60 0 0 0 0 0 0 0 0 0 3.9324 -7.0032 1.5915 C 0 0 0 0 0 3.2588 -8.2436 1.5945 C 0 0 0 0 0 1.8752 -8.2599 1.5550 C 0 0 0 0 0 1.1382 -7.0639 1.5099 C 0 0 0 0 0 1.8318 -5.8440 1.5044 C 0 0 0 0 0 3.2351 -5.7930 1.5448 C 0 0 0 0 0 1.2043 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9314 -5.7394 1.4577 C 0 0 0 0 0 -0.3301 -7.0719 1.4747 C 0 0 0 0 0 -0.7184 -3.2476 1.4434 C 0 0 0 0 0 -1.9301 -2.9772 2.0842 C 0 0 0 0 0 -2.4650 -1.6815 2.0677 C 0 0 0 0 0 -1.7976 -0.6301 1.3933 C 0 0 0 0 0 -0.5680 -0.9414 0.7565 C 0 0 0 0 0 -0.0287 -2.2237 0.7803 C 0 0 0 0 0 -1.0019 -8.1134 1.4589 O 0 0 0 0 0 5.3030 -7.0570 1.6322 O 0 0 0 0 0 3.8439 -9.1733 1.6301 H 0 0 0 0 0 1.3219 -9.2146 1.5581 H 0 0 0 0 0 3.7533 -4.8256 1.5437 H 0 0 0 0 0 -2.0304 -5.6902 1.4388 H 0 0 0 0 0 -2.4753 -3.7671 2.6242 H 0 0 0 0 0 -3.6145 -1.5256 2.8180 O 0 0 0 0 0 -2.3589 0.5883 1.3872 O 0 0 0 0 0 0.0375 0.1509 0.1500 O 0 0 0 0 0 0.9310 -2.4465 0.2920 H 0 0 0 0 0 -1.7168 2.0813 0.5725 SI 0 0 0 0 0 -1.6882 1.8676 -1.2294 C 0 0 0 0 0 -0.1399 2.6041 1.2977 C 0 0 0 0 0 -3.0584 3.2580 1.0367 C 0 0 0 0 0 -2.7442 4.6198 0.4672 C 0 0 0 0 0 -4.3548 2.7343 0.4673 C 0 0 0 0 0 -3.1310 3.3202 2.5432 C 0 0 0 0 0 1.1745 -0.1366 -0.6604 C 0 0 0 0 0 -4.5725 -0.5923 2.3248 C 0 0 0 0 0 5.6422 -6.1495 1.6472 H 0 0 0 0 0 -0.6521 1.7301 -1.6186 H 0 0 0 0 0 -2.2707 0.9647 -1.5302 H 0 0 0 0 0 -2.1334 2.7395 -1.7634 H 0 0 0 0 0 0.6947 2.5469 0.5594 H 0 0 0 0 0 -0.1747 3.6482 1.6873 H 0 0 0 0 0 0.1407 1.9412 2.1510 H 0 0 0 0 0 -3.5352 5.3559 0.7557 H 0 0 0 0 0 -1.7659 4.9973 0.8552 H 0 0 0 0 0 -2.6992 4.5853 -0.6495 H 0 0 0 0 0 -5.2099 3.3961 0.7503 H 0 0 0 0 0 -4.3035 2.6891 -0.6488 H 0 0 0 0 0 -4.5616 1.7062 0.8593 H 0 0 0 0 0 -3.9711 3.9796 2.8733 H 0 0 0 0 0 -3.2987 2.2984 2.9670 H 0 0 0 0 0 -2.1809 3.7316 2.9655 H 0 0 0 0 0 1.4349 0.8541 -1.1126 H 0 0 0 0 0 2.0137 -0.5107 -0.0244 H 0 0 0 0 0 0.9150 -0.8806 -1.4517 H 0 0 0 0 0 -5.5318 -0.9259 2.7955 H 0 0 0 0 0 -4.2944 0.4345 2.6688 H 0 0 0 0 0 -4.6406 -0.6226 1.2120 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 37 1 0 0 0 24 36 1 0 0 0 25 28 1 0 0 0 26 35 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 29 38 1 0 0 0 29 39 1 0 0 0 29 40 1 0 0 0 30 41 1 0 0 0 30 42 1 0 0 0 30 43 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 32 44 1 0 0 0 32 45 1 0 0 0 32 46 1 0 0 0 33 47 1 0 0 0 33 48 1 0 0 0 33 49 1 0 0 0 34 50 1 0 0 0 34 51 1 0 0 0 34 52 1 0 0 0 35 53 1 0 0 0 35 54 1 0 0 0 35 55 1 0 0 0 36 56 1 0 0 0 36 57 1 0 0 0 36 58 1 0 0 0 M END FL_038.MOL 8 7 9 X 5.920 3-atoms Rotated coordinates no 30 32 0 0 0 0 0 0 0 0 0 3.9447 -6.9951 1.3843 C 0 0 0 0 0 3.2495 -8.2230 1.3563 C 0 0 0 0 0 1.8553 -8.2634 1.3737 C 0 0 0 0 0 1.1300 -7.0644 1.4152 C 0 0 0 0 0 1.8263 -5.8480 1.4321 C 0 0 0 0 0 3.2349 -5.8071 1.4218 C 0 0 0 0 0 1.1995 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9385 -5.7328 1.4577 C 0 0 0 0 0 -0.3431 -7.0667 1.4425 C 0 0 0 0 0 -0.7160 -3.2422 1.4438 C 0 0 0 0 0 -1.1198 -2.6263 2.6335 C 0 0 0 0 0 -1.6464 -1.3422 2.6188 C 0 0 0 0 0 -1.7902 -0.6375 1.3979 C 0 0 0 0 0 -1.3622 -1.2665 0.2027 C 0 0 0 0 0 -0.8348 -2.5498 0.2334 C 0 0 0 0 0 -1.0145 -8.1085 1.4479 O 0 0 0 0 0 5.0445 -6.9999 1.3744 H 0 0 0 0 0 4.0297 -9.3572 1.3132 O 0 0 0 0 0 1.3053 -9.2177 1.3563 H 0 0 0 0 0 3.7496 -4.8355 1.4440 H 0 0 0 0 0 -2.0374 -5.6764 1.4606 H 0 0 0 0 0 -1.0197 -3.1633 3.5895 H 0 0 0 0 0 -1.9620 -0.8785 3.5656 H 0 0 0 0 0 -2.4060 0.6100 1.3637 N 0 0 0 0 0 -1.4532 -0.7435 -0.7608 H 0 0 0 0 0 -0.5068 -3.0273 -0.7033 H 0 0 0 0 0 3.4389 -10.1244 1.2905 H 0 0 0 0 0 -2.4080 1.1123 2.2213 H 0 0 0 0 0 -2.2120 1.1633 0.5609 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 25 29 1 0 0 0 25 30 1 0 0 0 M END FL_039.MOL 8 7 9 X 5.130 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 3.9642 -6.9554 1.4603 C 0 0 0 0 0 3.3288 -8.2031 1.4370 C 0 0 0 0 0 1.9259 -8.2524 1.4282 C 0 0 0 0 0 1.1474 -7.0675 1.4432 C 0 0 0 0 0 1.8392 -5.8387 1.4566 C 0 0 0 0 0 3.2361 -5.7573 1.4687 C 0 0 0 0 0 1.2006 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9271 -5.7382 1.4577 C 0 0 0 0 0 -0.3151 -7.0652 1.4500 C 0 0 0 0 0 -0.7157 -3.2427 1.4534 C 0 0 0 0 0 -1.1141 -2.6379 2.6510 C 0 0 0 0 0 -1.6396 -1.3535 2.6509 C 0 0 0 0 0 -1.7872 -0.6372 1.4373 C 0 0 0 0 0 -1.3631 -1.2543 0.2342 C 0 0 0 0 0 -0.8370 -2.5383 0.2501 C 0 0 0 0 0 -1.0024 -8.1034 1.4485 O 0 0 0 0 0 5.3351 -6.9726 1.4728 O 0 0 0 0 0 3.9162 -9.1317 1.4256 H 0 0 0 0 0 1.4038 -9.5105 1.4042 O 0 0 0 0 0 3.7325 -4.7791 1.4855 H 0 0 0 0 0 -2.0267 -5.6968 1.4574 H 0 0 0 0 0 -1.0101 -3.1833 3.6020 H 0 0 0 0 0 -1.9509 -0.8975 3.6026 H 0 0 0 0 0 -2.4004 0.6108 1.4182 N 0 0 0 0 0 -1.4560 -0.7197 -0.7229 H 0 0 0 0 0 -0.5111 -3.0057 -0.6924 H 0 0 0 0 0 5.6501 -6.0562 1.4987 H 0 0 0 0 0 0.4306 -9.4752 1.3927 H 0 0 0 0 0 -2.4049 1.1030 2.2815 H 0 0 0 0 0 -2.2122 1.1724 0.6205 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 20 29 1 0 0 0 25 30 1 0 0 0 25 31 1 0 0 0 M END FL_040.MOL 8 7 9 X 4.570 3-atoms Rotated coordinates no 36 38 0 0 0 0 0 0 0 0 0 3.9304 -7.0078 1.5356 C 0 0 0 0 0 3.2499 -8.2318 1.5253 C 0 0 0 0 0 1.8616 -8.2612 1.4981 C 0 0 0 0 0 1.1274 -7.0648 1.4789 C 0 0 0 0 0 1.8259 -5.8474 1.4838 C 0 0 0 0 0 3.2323 -5.8080 1.5138 C 0 0 0 0 0 1.2004 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9402 -5.7300 1.4577 C 0 0 0 0 0 -0.3434 -7.0664 1.4585 C 0 0 0 0 0 -0.7094 -3.2357 1.4399 C 0 0 0 0 0 -1.1471 -2.6457 2.6221 C 0 0 0 0 0 -1.6572 -1.3322 2.6068 C 0 0 0 0 0 -1.7235 -0.6209 1.3954 C 0 0 0 0 0 -1.2753 -1.2464 0.2068 C 0 0 0 0 0 -0.7679 -2.5437 0.2230 C 0 0 0 0 0 -1.0202 -8.1042 1.4412 O 0 0 0 0 0 5.0308 -6.9947 1.5617 H 0 0 0 0 0 3.8200 -9.1722 1.5395 H 0 0 0 0 0 1.3108 -9.2165 1.4917 H 0 0 0 0 0 3.7497 -4.8385 1.5221 H 0 0 0 0 0 -2.0391 -5.6745 1.4540 H 0 0 0 0 0 -1.0973 -3.1829 3.5813 H 0 0 0 0 0 -2.0188 -0.8615 3.8502 O 0 0 0 0 0 -2.2306 0.6587 1.3949 O 0 0 0 0 0 -1.3956 -0.4620 -0.9283 O 0 0 0 0 0 -0.4134 -3.0270 -0.6978 H 0 0 0 0 0 -0.8139 -0.9877 -2.1171 C 0 0 0 0 0 -2.7735 0.3462 3.9061 C 0 0 0 0 0 -2.1474 1.0169 0.4973 H 0 0 0 0 0 -0.9580 -0.1635 -2.8614 H 0 0 0 0 0 0.2720 -1.2010 -1.9664 H 0 0 0 0 0 -1.3565 -1.9097 -2.4390 H 0 0 0 0 0 -3.0707 0.4109 4.9838 H 0 0 0 0 0 -2.1319 1.2138 3.6168 H 0 0 0 0 0 -3.6712 0.2873 3.2457 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 24 29 1 0 0 0 25 30 1 0 0 0 26 28 1 0 0 0 28 31 1 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 29 36 1 0 0 0 M END FL_041.MOL 8 7 9 X 3.860 3-atoms Rotated coordinates no 30 32 0 0 0 0 0 0 0 0 0 3.9275 -7.0114 1.4646 C 0 0 0 0 0 3.2502 -8.2499 1.4474 C 0 0 0 0 0 1.8661 -8.2621 1.4416 C 0 0 0 0 0 1.1313 -7.0637 1.4500 C 0 0 0 0 0 1.8288 -5.8451 1.4599 C 0 0 0 0 0 3.2328 -5.7990 1.4705 C 0 0 0 0 0 1.2029 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9361 -5.7328 1.4577 C 0 0 0 0 0 -0.3372 -7.0681 1.4518 C 0 0 0 0 0 -0.7124 -3.2413 1.4535 C 0 0 0 0 0 -1.1200 -2.6408 2.6501 C 0 0 0 0 0 -1.6492 -1.3580 2.6508 C 0 0 0 0 0 -1.7918 -0.6382 1.4387 C 0 0 0 0 0 -1.3592 -1.2510 0.2368 C 0 0 0 0 0 -0.8288 -2.5335 0.2521 C 0 0 0 0 0 -1.0131 -8.1071 1.4487 O 0 0 0 0 0 5.2982 -7.0702 1.4743 O 0 0 0 0 0 3.8338 -9.1810 1.4395 H 0 0 0 0 0 1.3102 -9.2155 1.4296 H 0 0 0 0 0 3.7521 -4.8321 1.4836 H 0 0 0 0 0 -2.0349 -5.6777 1.4575 H 0 0 0 0 0 -1.0212 -3.1900 3.5995 H 0 0 0 0 0 -1.9673 -0.9065 3.6023 H 0 0 0 0 0 -2.4089 0.6090 1.4199 N 0 0 0 0 0 -1.4481 -0.7158 -0.7204 H 0 0 0 0 0 -0.4976 -2.9970 -0.6905 H 0 0 0 0 0 5.6416 -6.1641 1.4900 H 0 0 0 0 0 -2.4134 1.0989 2.2847 H 0 0 0 0 0 -2.2129 1.1740 0.6257 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 25 29 1 0 0 0 25 30 1 0 0 0 M END FL_042.MOL 8 7 9 X 3.680 3-atoms Rotated coordinates no 29 31 0 0 0 0 0 0 0 0 0 3.9338 -7.0068 1.4415 C 0 0 0 0 0 3.2536 -8.2312 1.4212 C 0 0 0 0 0 1.8651 -8.2604 1.4228 C 0 0 0 0 0 1.1305 -7.0644 1.4405 C 0 0 0 0 0 1.8278 -5.8462 1.4523 C 0 0 0 0 0 3.2349 -5.8073 1.4572 C 0 0 0 0 0 1.2008 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9377 -5.7325 1.4577 C 0 0 0 0 0 -0.3406 -7.0672 1.4482 C 0 0 0 0 0 -0.7166 -3.2427 1.4472 C 0 0 0 0 0 -1.1289 -2.6361 2.6389 C 0 0 0 0 0 -1.6617 -1.3544 2.6296 C 0 0 0 0 0 -1.8039 -0.6434 1.4125 C 0 0 0 0 0 -1.3652 -1.2621 0.2158 C 0 0 0 0 0 -0.8311 -2.5428 0.2409 C 0 0 0 0 0 -1.0153 -8.1068 1.4448 O 0 0 0 0 0 5.0348 -6.9946 1.4437 H 0 0 0 0 0 3.8245 -9.1714 1.4038 H 0 0 0 0 0 1.3141 -9.2154 1.4102 H 0 0 0 0 0 3.7517 -4.8378 1.4738 H 0 0 0 0 0 -2.0363 -5.6754 1.4596 H 0 0 0 0 0 -1.0295 -3.1781 3.5922 H 0 0 0 0 0 -1.9826 -0.8970 3.5772 H 0 0 0 0 0 -2.4253 0.6021 1.3833 N 0 0 0 0 0 -1.4521 -0.7328 -0.7447 H 0 0 0 0 0 -0.4930 -3.0106 -0.6970 H 0 0 0 0 0 -2.4274 1.0994 2.2444 H 0 0 0 0 0 -2.2240 1.1619 0.5868 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 25 28 1 0 0 0 25 29 1 0 0 0 M END FL_043.MOL 8 7 9 X 3.360 3-atoms Rotated coordinates no 34 36 0 0 0 0 0 0 0 0 0 3.9535 -6.9747 1.6062 C 0 0 0 0 0 3.2847 -8.2045 1.6408 C 0 0 0 0 0 1.8965 -8.2494 1.6051 C 0 0 0 0 0 1.1520 -7.0611 1.5375 C 0 0 0 0 0 1.8385 -5.8395 1.5111 C 0 0 0 0 0 3.2432 -5.7825 1.5418 C 0 0 0 0 0 1.1957 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9304 -5.7485 1.4577 C 0 0 0 0 0 -0.3174 -7.0843 1.4938 C 0 0 0 0 0 -0.6981 -3.2369 1.4465 C 0 0 0 0 0 -1.6559 -2.8389 2.3930 C 0 0 0 0 0 -2.1477 -1.5405 2.3884 C 0 0 0 0 0 -1.6864 -0.6343 1.4162 C 0 0 0 0 0 -0.7274 -1.0220 0.4677 C 0 0 0 0 0 -0.2323 -2.3217 0.4938 C 0 0 0 0 0 -0.9742 -8.1331 1.4906 O 0 0 0 0 0 5.0539 -6.9502 1.6326 H 0 0 0 0 0 3.8633 -9.1385 1.6984 H 0 0 0 0 0 1.3545 -9.2096 1.6302 H 0 0 0 0 0 3.7506 -4.8083 1.5169 H 0 0 0 0 0 -2.4044 -5.7080 1.4123 C 0 0 0 0 0 -2.0294 -3.5662 3.1355 H 0 0 0 0 0 -2.8961 -1.2133 3.1246 H 0 0 0 0 0 -2.2198 0.6296 1.4572 O 0 0 0 0 0 -0.3698 -0.3063 -0.2859 H 0 0 0 0 0 0.5311 -2.6352 -0.2355 H 0 0 0 0 0 -3.1978 -5.5647 2.3436 O 0 0 0 0 0 -2.9022 -5.8604 0.1474 O 0 0 0 0 0 -4.3243 -5.9213 0.0246 C 0 0 0 0 0 -1.8153 1.1523 0.7486 H 0 0 0 0 0 -4.4856 -6.0767 -1.0704 H 0 0 0 0 0 -4.7220 -6.7759 0.6225 H 0 0 0 0 0 -4.7772 -4.9624 0.3735 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 22 28 2 0 0 0 22 29 1 0 0 0 25 31 1 0 0 0 29 30 1 0 0 0 30 32 1 0 0 0 30 33 1 0 0 0 30 34 1 0 0 0 M END FL_044.MOL 8 7 9 X 3.300 3-atoms Rotated coordinates no 28 30 0 0 0 0 0 0 0 0 0 3.9324 -7.0072 1.4715 C 0 0 0 0 0 3.2518 -8.2312 1.4571 C 0 0 0 0 0 1.8633 -8.2606 1.4465 C 0 0 0 0 0 1.1285 -7.0645 1.4498 C 0 0 0 0 0 1.8270 -5.8469 1.4604 C 0 0 0 0 0 3.2336 -5.8074 1.4735 C 0 0 0 0 0 1.2005 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9393 -5.7310 1.4577 C 0 0 0 0 0 -0.3425 -7.0669 1.4451 C 0 0 0 0 0 -0.7112 -3.2392 1.4418 C 0 0 0 0 0 -1.1006 -2.6223 2.6385 C 0 0 0 0 0 -1.6173 -1.3323 2.6273 C 0 0 0 0 0 -1.7405 -0.6554 1.4009 C 0 0 0 0 0 -1.3497 -1.2637 0.1988 C 0 0 0 0 0 -0.8322 -2.5555 0.2270 C 0 0 0 0 0 -1.0193 -8.1048 1.4293 O 0 0 0 0 0 5.0333 -6.9941 1.4812 H 0 0 0 0 0 3.8220 -9.1720 1.4566 H 0 0 0 0 0 1.3121 -9.2157 1.4341 H 0 0 0 0 0 3.7505 -4.8375 1.4854 H 0 0 0 0 0 -2.0380 -5.6752 1.4610 H 0 0 0 0 0 -0.9961 -3.1610 3.5930 H 0 0 0 0 0 -1.9302 -0.8343 3.5557 H 0 0 0 0 0 -2.2591 0.6156 1.4540 O 0 0 0 0 0 -1.4484 -0.7264 -0.7548 H 0 0 0 0 0 -0.5169 -3.0407 -0.7094 H 0 0 0 0 0 -2.2689 0.9748 0.5544 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 25 28 1 0 0 0 M END FL_045.MOL 8 7 9 X 3.090 3-atoms Rotated coordinates no 35 37 0 0 0 0 0 0 0 0 0 3.9577 -6.9688 1.5939 C 0 0 0 0 0 3.2915 -8.2005 1.6139 C 0 0 0 0 0 1.9036 -8.2481 1.5777 C 0 0 0 0 0 1.1563 -7.0606 1.5248 C 0 0 0 0 0 1.8404 -5.8378 1.5048 C 0 0 0 0 0 3.2452 -5.7776 1.5378 C 0 0 0 0 0 1.1958 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9285 -5.7512 1.4577 C 0 0 0 0 0 -0.3137 -7.0849 1.4932 C 0 0 0 0 0 -0.6938 -3.2383 1.4487 C 0 0 0 0 0 -1.6874 -2.8442 2.3565 C 0 0 0 0 0 -2.1594 -1.5408 2.3603 C 0 0 0 0 0 -1.6494 -0.5850 1.4453 C 0 0 0 0 0 -0.6561 -1.0000 0.5220 C 0 0 0 0 0 -0.1813 -2.3023 0.5405 C 0 0 0 0 0 -0.9678 -8.1357 1.4993 O 0 0 0 0 0 5.0580 -6.9417 1.6253 H 0 0 0 0 0 3.8729 -9.1335 1.6598 H 0 0 0 0 0 1.3630 -9.2091 1.5904 H 0 0 0 0 0 3.7498 -4.8017 1.5235 H 0 0 0 0 0 -2.4016 -5.7081 1.4066 C 0 0 0 0 0 -2.1053 -3.5807 3.0657 H 0 0 0 0 0 -2.9344 -1.2519 3.0861 H 0 0 0 0 0 -2.0560 0.7407 1.5021 N 0 0 0 0 0 -0.2465 -0.2867 -0.2085 H 0 0 0 0 0 0.6057 -2.6091 -0.1667 H 0 0 0 0 0 -3.2029 -5.5763 2.3332 O 0 0 0 0 0 -2.8922 -5.8374 0.1357 O 0 0 0 0 0 -4.3134 -5.8808 0.0003 C 0 0 0 0 0 -2.9206 0.9160 1.9586 H 0 0 0 0 0 -1.8873 1.2870 0.6902 H 0 0 0 0 0 -4.4682 -5.9656 -1.1039 H 0 0 0 0 0 -4.7192 -6.7694 0.5409 H 0 0 0 0 0 -4.7662 -4.9444 0.4063 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 22 28 2 0 0 0 22 29 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 29 30 1 0 0 0 30 33 1 0 0 0 30 34 1 0 0 0 30 35 1 0 0 0 M END FL_046.MOL 8 7 9 X 2.990 3-atoms Rotated coordinates no 35 37 0 0 0 0 0 0 0 0 0 3.9439 -6.9801 1.5494 C 0 0 0 0 0 3.2726 -8.2257 1.5385 C 0 0 0 0 0 1.8906 -8.2534 1.5024 C 0 0 0 0 0 1.1451 -7.0600 1.4771 C 0 0 0 0 0 1.8353 -5.8411 1.4848 C 0 0 0 0 0 3.2381 -5.7759 1.5201 C 0 0 0 0 0 1.1951 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9342 -5.7430 1.4577 C 0 0 0 0 0 -0.3214 -7.0822 1.4484 C 0 0 0 0 0 -0.6984 -3.2333 1.4502 C 0 0 0 0 0 -1.0947 -2.6275 2.6513 C 0 0 0 0 0 -1.5878 -1.3286 2.6507 C 0 0 0 0 0 -1.6818 -0.6328 1.4320 C 0 0 0 0 0 -1.2822 -1.2304 0.2267 C 0 0 0 0 0 -0.7862 -2.5304 0.2430 C 0 0 0 0 0 -0.9835 -8.1272 1.4203 O 0 0 0 0 0 5.3161 -7.0665 1.5901 O 0 0 0 0 0 3.8651 -9.1517 1.5602 H 0 0 0 0 0 1.3443 -9.2126 1.4932 H 0 0 0 0 0 3.7348 -4.7970 1.5251 H 0 0 0 0 0 -2.4066 -5.6872 1.4804 C 0 0 0 0 0 -1.0238 -3.1858 3.5984 H 0 0 0 0 0 -1.9083 -0.8411 3.5825 H 0 0 0 0 0 -2.1777 0.6457 1.4951 O 0 0 0 0 0 -1.3608 -0.6781 -0.7202 H 0 0 0 0 0 -0.4662 -3.0076 -0.6963 H 0 0 0 0 0 -3.1604 -5.5683 2.4486 O 0 0 0 0 0 -2.9883 -5.7872 0.2515 O 0 0 0 0 0 6.0284 -5.8325 1.6264 C 0 0 0 0 0 -2.1973 1.0069 0.5965 H 0 0 0 0 0 -3.9543 -5.8068 0.3559 H 0 0 0 0 0 7.0998 -6.1545 1.6699 H 0 0 0 0 0 5.8302 -5.2385 0.7013 H 0 0 0 0 0 5.7536 -5.2473 2.5374 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 30 1 0 0 0 22 28 2 0 0 0 22 29 1 0 0 0 25 31 1 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 30 34 1 0 0 0 30 35 1 0 0 0 M END FL_047.MOL 8 7 9 X 2.800 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 3.9480 -6.9825 1.5038 C 0 0 0 0 0 3.2771 -8.2119 1.5029 C 0 0 0 0 0 1.8886 -8.2533 1.4874 C 0 0 0 0 0 1.1452 -7.0622 1.4724 C 0 0 0 0 0 1.8346 -5.8417 1.4729 C 0 0 0 0 0 3.2397 -5.7877 1.4888 C 0 0 0 0 0 1.1936 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9351 -5.7435 1.4577 C 0 0 0 0 0 -0.3248 -7.0819 1.4596 C 0 0 0 0 0 -0.7004 -3.2339 1.4518 C 0 0 0 0 0 -1.1425 -2.6500 2.6479 C 0 0 0 0 0 -1.6276 -1.3485 2.6535 C 0 0 0 0 0 -1.6715 -0.6289 1.4458 C 0 0 0 0 0 -1.2324 -1.2067 0.2450 C 0 0 0 0 0 -0.7420 -2.5092 0.2554 C 0 0 0 0 0 -0.9854 -8.1280 1.4555 O 0 0 0 0 0 5.0489 -6.9603 1.5158 H 0 0 0 0 0 3.8547 -9.1482 1.5144 H 0 0 0 0 0 1.3456 -9.2132 1.4870 H 0 0 0 0 0 3.7481 -4.8134 1.4896 H 0 0 0 0 0 -2.4074 -5.6868 1.4661 C 0 0 0 0 0 -1.1150 -3.2284 3.5853 H 0 0 0 0 0 -1.9800 -0.8757 3.5813 H 0 0 0 0 0 -2.1591 0.6523 1.5168 O 0 0 0 0 0 -1.2738 -0.6370 -0.6938 H 0 0 0 0 0 -0.3899 -2.9702 -0.6805 H 0 0 0 0 0 -3.1703 -5.5128 2.4187 O 0 0 0 0 0 -2.9781 -5.8605 0.2403 O 0 0 0 0 0 -2.1368 1.0345 0.6268 H 0 0 0 0 0 -3.9451 -5.8759 0.3377 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 22 28 2 0 0 0 22 29 1 0 0 0 25 30 1 0 0 0 29 31 1 0 0 0 M END FL_078.MOL 8 7 9 X 4.740 3-atoms Rotated coordinates no 34 36 0 0 0 0 0 0 0 0 0 4.0158 -6.9026 1.5112 C 0 0 0 0 0 3.3557 -8.1532 1.4394 C 0 0 0 0 0 1.9378 -8.2661 1.3700 C 0 0 0 0 0 1.1549 -7.0685 1.4159 C 0 0 0 0 0 1.8427 -5.8397 1.4571 C 0 0 0 0 0 3.2322 -5.7280 1.5137 C 0 0 0 0 0 1.1991 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9226 -5.7393 1.4577 C 0 0 0 0 0 -0.3066 -7.0684 1.4460 C 0 0 0 0 0 -0.7174 -3.2432 1.4529 C 0 0 0 0 0 -1.1739 -2.6596 2.6399 C 0 0 0 0 0 -1.7002 -1.3752 2.6375 C 0 0 0 0 0 -1.7914 -0.6386 1.4311 C 0 0 0 0 0 -1.3091 -1.2336 0.2395 C 0 0 0 0 0 -0.7812 -2.5170 0.2584 C 0 0 0 0 0 -1.0164 -8.0916 1.4722 O 0 0 0 0 0 5.4019 -6.8331 1.5068 N 0 0 0 0 0 4.1147 -9.3142 1.5189 O 0 0 0 0 0 1.3718 -9.5037 1.2073 N 0 0 0 0 0 3.6929 -4.7317 1.5535 H 0 0 0 0 0 -2.0219 -5.7038 1.4599 H 0 0 0 0 0 -1.1137 -3.2217 3.5849 H 0 0 0 0 0 -2.0559 -0.9363 3.5816 H 0 0 0 0 0 -2.4062 0.6108 1.4045 N 0 0 0 0 0 -1.3564 -0.6834 -0.7121 H 0 0 0 0 0 -0.4069 -2.9670 -0.6745 H 0 0 0 0 0 5.8661 -7.6648 1.7984 H 0 0 0 0 0 5.7923 -5.9882 1.8554 H 0 0 0 0 0 4.3543 -9.5376 0.6060 H 0 0 0 0 0 1.9394 -10.2909 1.4175 H 0 0 0 0 0 0.3866 -9.6013 1.3152 H 0 0 0 0 0 -2.4391 1.0889 2.2756 H 0 0 0 0 0 -2.1689 1.1863 0.6292 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 18 29 1 0 0 0 19 30 1 0 0 0 20 31 1 0 0 0 20 32 1 0 0 0 25 33 1 0 0 0 25 34 1 0 0 0 M END FL_079.MOL 8 7 9 X 4.340 3-atoms Rotated coordinates no 34 36 0 0 0 0 0 0 0 0 0 4.0126 -6.9052 1.5006 C 0 0 0 0 0 3.3505 -8.1562 1.4664 C 0 0 0 0 0 1.9315 -8.2690 1.4133 C 0 0 0 0 0 1.1499 -7.0698 1.4349 C 0 0 0 0 0 1.8397 -5.8416 1.4597 C 0 0 0 0 0 3.2294 -5.7299 1.4992 C 0 0 0 0 0 1.1984 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9259 -5.7364 1.4577 C 0 0 0 0 0 -0.3116 -7.0673 1.4513 C 0 0 0 0 0 -0.7193 -3.2390 1.4518 C 0 0 0 0 0 -1.1222 -2.6451 2.6518 C 0 0 0 0 0 -1.6475 -1.3544 2.6290 C 0 0 0 0 0 -1.7749 -0.6563 1.4344 C 0 0 0 0 0 -1.3741 -1.2483 0.2133 C 0 0 0 0 0 -0.8305 -2.5538 0.2421 C 0 0 0 0 0 -1.0248 -8.0880 1.4679 O 0 0 0 0 0 5.3974 -6.8346 1.4638 N 0 0 0 0 0 4.1101 -9.3154 1.5661 O 0 0 0 0 0 1.3641 -9.5096 1.2884 N 0 0 0 0 0 3.6917 -4.7338 1.5227 H 0 0 0 0 0 -2.0256 -5.6983 1.4583 H 0 0 0 0 0 -1.0251 -3.1913 3.6006 H 0 0 0 0 0 -1.9671 -0.8806 3.5701 H 0 0 0 0 0 -2.1971 0.3603 1.4420 H 0 0 0 0 0 -1.5863 -0.5933 -1.0033 N 0 0 0 0 0 -0.5001 -3.0399 -0.6884 H 0 0 0 0 0 5.8728 -7.6609 1.7509 H 0 0 0 0 0 5.7962 -5.9823 1.7831 H 0 0 0 0 0 4.3119 -9.5807 0.6553 H 0 0 0 0 0 1.9316 -10.2925 1.5124 H 0 0 0 0 0 0.3779 -9.6044 1.3859 H 0 0 0 0 0 -1.6472 0.3979 -0.9337 H 0 0 0 0 0 -1.0028 -0.9040 -1.7478 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 18 29 1 0 0 0 19 30 1 0 0 0 20 31 1 0 0 0 20 32 1 0 0 0 26 33 1 0 0 0 26 34 1 0 0 0 M END FL_080.MOL 8 7 9 X 4.250 3-atoms Rotated coordinates no 35 37 0 0 0 0 0 0 0 0 0 3.9389 -7.0291 1.2182 C 0 0 0 0 0 3.2244 -8.2399 1.1753 C 0 0 0 0 0 1.8336 -8.2683 1.2475 C 0 0 0 0 0 1.1325 -7.0589 1.3480 C 0 0 0 0 0 1.8290 -5.8478 1.3702 C 0 0 0 0 0 3.2579 -5.8037 1.3061 C 0 0 0 0 0 1.1962 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9413 -5.7298 1.4577 C 0 0 0 0 0 -0.3414 -7.0613 1.4278 C 0 0 0 0 0 -0.7124 -3.2355 1.4488 C 0 0 0 0 0 -1.0358 -2.6003 2.6509 C 0 0 0 0 0 -1.5490 -1.3044 2.6187 C 0 0 0 0 0 -1.7418 -0.6421 1.4126 C 0 0 0 0 0 -1.4207 -1.2761 0.1886 C 0 0 0 0 0 -0.8908 -2.5869 0.2267 C 0 0 0 0 0 -1.0112 -8.1033 1.4589 O 0 0 0 0 0 5.0376 -7.0632 1.1693 H 0 0 0 0 0 4.0214 -9.3654 1.0748 O 0 0 0 0 0 1.2611 -9.2079 1.2302 H 0 0 0 0 0 3.9543 -4.5950 1.2429 N 0 0 0 0 0 -2.0399 -5.6742 1.4697 H 0 0 0 0 0 -0.8865 -3.1175 3.6092 H 0 0 0 0 0 -1.8034 -0.7969 3.5620 H 0 0 0 0 0 -2.1533 0.3787 1.4133 H 0 0 0 0 0 -1.6928 -0.6550 -1.0331 N 0 0 0 0 0 -0.6209 -3.1050 -0.7064 H 0 0 0 0 0 3.3380 -10.5944 0.8499 C 0 0 0 0 0 3.4372 -3.8051 1.5622 H 0 0 0 0 0 4.8824 -4.6395 1.6012 H 0 0 0 0 0 -1.7247 0.3390 -0.9950 H 0 0 0 0 0 -1.1701 -1.0082 -1.8033 H 0 0 0 0 0 4.1693 -11.3301 0.7044 H 0 0 0 0 0 2.7214 -10.8669 1.7407 H 0 0 0 0 0 2.6996 -10.5323 -0.0644 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 21 29 1 0 0 0 21 30 1 0 0 0 26 31 1 0 0 0 26 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 28 35 1 0 0 0 M END FL_081.MOL 8 7 9 X 3.990 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 3.9314 -7.0109 1.5132 C 0 0 0 0 0 3.2556 -8.2598 1.5012 C 0 0 0 0 0 1.8470 -8.2656 1.4875 C 0 0 0 0 0 1.1270 -7.0672 1.4719 C 0 0 0 0 0 1.8227 -5.8504 1.4731 C 0 0 0 0 0 3.2276 -5.8195 1.4946 C 0 0 0 0 0 1.1987 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9404 -5.7313 1.4577 C 0 0 0 0 0 -0.3468 -7.0666 1.4604 C 0 0 0 0 0 -0.7130 -3.2409 1.4533 C 0 0 0 0 0 -1.1558 -2.6542 2.6440 C 0 0 0 0 0 -1.6681 -1.3645 2.6460 C 0 0 0 0 0 -1.7581 -0.6250 1.4410 C 0 0 0 0 0 -1.2970 -1.2270 0.2444 C 0 0 0 0 0 -0.7830 -2.5162 0.2586 C 0 0 0 0 0 -1.0231 -8.1052 1.4555 O 0 0 0 0 0 5.0322 -6.9824 1.5291 H 0 0 0 0 0 3.9797 -9.4560 1.4164 N 0 0 0 0 0 1.2784 -9.2109 1.4816 H 0 0 0 0 0 3.7483 -4.8509 1.4973 H 0 0 0 0 0 -2.0390 -5.6732 1.4506 H 0 0 0 0 0 -1.0961 -3.2185 3.5877 H 0 0 0 0 0 -2.0140 -0.9231 3.5926 H 0 0 0 0 0 -2.3530 0.6339 1.4220 N 0 0 0 0 0 -1.3512 -0.6782 -0.7076 H 0 0 0 0 0 -0.4257 -2.9722 -0.6779 H 0 0 0 0 0 4.8912 -9.4083 1.8153 H 0 0 0 0 0 3.4690 -10.2612 1.7062 H 0 0 0 0 0 -2.3696 1.1106 2.2943 H 0 0 0 0 0 -2.1142 1.2072 0.6457 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 19 29 1 0 0 0 25 30 1 0 0 0 25 31 1 0 0 0 M END FL_082.MOL 8 7 9 X 3.970 3-atoms Rotated coordinates no 33 35 0 0 0 0 0 0 0 0 0 3.9357 -7.0475 1.4828 C 0 0 0 0 0 3.2414 -8.2790 1.4777 C 0 0 0 0 0 1.8330 -8.2727 1.4720 C 0 0 0 0 0 1.1333 -7.0650 1.4595 C 0 0 0 0 0 1.8284 -5.8517 1.4531 C 0 0 0 0 0 3.2552 -5.8182 1.4504 C 0 0 0 0 0 1.1954 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9407 -5.7311 1.4577 C 0 0 0 0 0 -0.3435 -7.0629 1.4617 C 0 0 0 0 0 -0.7169 -3.2417 1.4576 C 0 0 0 0 0 -1.1106 -2.6405 2.6582 C 0 0 0 0 0 -1.6502 -1.3617 2.6625 C 0 0 0 0 0 -1.8029 -0.6427 1.4517 C 0 0 0 0 0 -1.3935 -1.2600 0.2442 C 0 0 0 0 0 -0.8518 -2.5378 0.2556 C 0 0 0 0 0 -1.0178 -8.1031 1.4693 O 0 0 0 0 0 5.0373 -7.0484 1.4868 H 0 0 0 0 0 3.9476 -9.4847 1.4032 N 0 0 0 0 0 1.2553 -9.2113 1.4690 H 0 0 0 0 0 3.9612 -4.6168 1.3418 N 0 0 0 0 0 -2.0386 -5.6737 1.4509 H 0 0 0 0 0 -0.9962 -3.1870 3.6074 H 0 0 0 0 0 -1.9515 -0.9068 3.6176 H 0 0 0 0 0 -2.2728 0.6685 1.4557 N 0 0 0 0 0 -1.4931 -0.7244 -0.7116 H 0 0 0 0 0 -0.5286 -3.0022 -0.6895 H 0 0 0 0 0 4.8764 -9.4430 1.7587 H 0 0 0 0 0 3.4373 -10.2795 1.7187 H 0 0 0 0 0 3.4288 -3.8054 1.5705 H 0 0 0 0 0 4.8631 -4.6336 1.7639 H 0 0 0 0 0 -2.8107 0.9251 2.2517 H 0 0 0 0 0 -2.6440 0.9890 0.5907 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 19 29 1 0 0 0 21 30 1 0 0 0 21 31 1 0 0 0 25 32 1 0 0 0 25 33 1 0 0 0 M END FL_083.MOL 8 7 9 X 3.930 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9501 -7.0306 1.4650 C 0 0 0 0 0 3.2370 -8.2403 1.4674 C 0 0 0 0 0 1.8426 -8.2700 1.4619 C 0 0 0 0 0 1.1361 -7.0612 1.4530 C 0 0 0 0 0 1.8320 -5.8490 1.4490 C 0 0 0 0 0 3.2630 -5.8042 1.4434 C 0 0 0 0 0 1.1962 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9394 -5.7318 1.4577 C 0 0 0 0 0 -0.3399 -7.0626 1.4542 C 0 0 0 0 0 -0.7150 -3.2412 1.4519 C 0 0 0 0 0 -1.0983 -2.6295 2.6506 C 0 0 0 0 0 -1.6338 -1.3491 2.6486 C 0 0 0 0 0 -1.7915 -0.6383 1.4334 C 0 0 0 0 0 -1.3958 -1.2677 0.2276 C 0 0 0 0 0 -0.8586 -2.5473 0.2453 C 0 0 0 0 0 -1.0105 -8.1050 1.4518 O 0 0 0 0 0 5.0501 -7.0634 1.4685 H 0 0 0 0 0 4.0033 -9.3848 1.4819 O 0 0 0 0 0 1.2835 -9.2179 1.4668 H 0 0 0 0 0 3.9579 -4.5994 1.3373 N 0 0 0 0 0 -2.0376 -5.6764 1.4571 H 0 0 0 0 0 -0.9785 -3.1690 3.6031 H 0 0 0 0 0 -1.9296 -0.8866 3.6021 H 0 0 0 0 0 -2.2526 0.6755 1.4322 N 0 0 0 0 0 -1.5039 -0.7407 -0.7321 H 0 0 0 0 0 -0.5462 -3.0209 -0.6986 H 0 0 0 0 0 3.4020 -10.1440 1.4716 H 0 0 0 0 0 3.4261 -3.7905 1.5745 H 0 0 0 0 0 4.8726 -4.6143 1.7301 H 0 0 0 0 0 -2.7883 0.9405 2.2267 H 0 0 0 0 0 -2.6178 0.9981 0.5657 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 21 29 1 0 0 0 21 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 M END FL_084.MOL 8 7 9 X 3.910 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 3.9399 -7.0391 1.4165 C 0 0 0 0 0 3.2419 -8.2462 1.4087 C 0 0 0 0 0 1.8544 -8.2661 1.4132 C 0 0 0 0 0 1.1378 -7.0611 1.4299 C 0 0 0 0 0 1.8346 -5.8466 1.4327 C 0 0 0 0 0 3.2624 -5.8037 1.4168 C 0 0 0 0 0 1.1981 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9379 -5.7319 1.4577 C 0 0 0 0 0 -0.3359 -7.0631 1.4495 C 0 0 0 0 0 -0.7123 -3.2405 1.4558 C 0 0 0 0 0 -1.0922 -2.6299 2.6563 C 0 0 0 0 0 -1.6124 -1.3433 2.6587 C 0 0 0 0 0 -1.7580 -0.6241 1.4467 C 0 0 0 0 0 -1.3730 -1.2552 0.2382 C 0 0 0 0 0 -0.8512 -2.5411 0.2517 C 0 0 0 0 0 -1.0085 -8.1043 1.4589 O 0 0 0 0 0 5.0412 -7.0539 1.4131 H 0 0 0 0 0 3.8051 -9.1920 1.3977 H 0 0 0 0 0 1.2943 -9.2148 1.4061 H 0 0 0 0 0 3.9658 -4.5982 1.3140 N 0 0 0 0 0 -2.0364 -5.6776 1.4585 H 0 0 0 0 0 -0.9815 -3.1743 3.6072 H 0 0 0 0 0 -1.9040 -0.8807 3.6135 H 0 0 0 0 0 -2.1955 0.6975 1.4513 N 0 0 0 0 0 -1.4743 -0.7245 -0.7203 H 0 0 0 0 0 -0.5454 -3.0162 -0.6939 H 0 0 0 0 0 3.4284 -3.7938 1.5571 H 0 0 0 0 0 4.8598 -4.6195 1.7544 H 0 0 0 0 0 -2.7259 0.9697 2.2466 H 0 0 0 0 0 -2.5499 1.0341 0.5855 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 21 28 1 0 0 0 21 29 1 0 0 0 25 30 1 0 0 0 25 31 1 0 0 0 M END FL_085.MOL 8 7 9 X 3.850 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9265 -7.0171 1.4703 C 0 0 0 0 0 3.2542 -8.2803 1.4283 C 0 0 0 0 0 1.8501 -8.2661 1.4308 C 0 0 0 0 0 1.1291 -7.0656 1.4474 C 0 0 0 0 0 1.8238 -5.8493 1.4582 C 0 0 0 0 0 3.2267 -5.8134 1.4752 C 0 0 0 0 0 1.2009 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9381 -5.7321 1.4577 C 0 0 0 0 0 -0.3423 -7.0674 1.4528 C 0 0 0 0 0 -0.7120 -3.2409 1.4530 C 0 0 0 0 0 -1.1190 -2.6396 2.6495 C 0 0 0 0 0 -1.6321 -1.3501 2.6511 C 0 0 0 0 0 -1.7576 -0.6249 1.4403 C 0 0 0 0 0 -1.3335 -1.2420 0.2378 C 0 0 0 0 0 -0.8188 -2.5311 0.2522 C 0 0 0 0 0 -1.0188 -8.1062 1.4539 O 0 0 0 0 0 5.3032 -7.0498 1.5202 O 0 0 0 0 0 3.9632 -9.4816 1.2919 N 0 0 0 0 0 1.2769 -9.2096 1.4121 H 0 0 0 0 0 3.7505 -4.8479 1.4937 H 0 0 0 0 0 -2.0367 -5.6754 1.4552 H 0 0 0 0 0 -1.0302 -3.1921 3.5979 H 0 0 0 0 0 -1.9501 -0.8971 3.6022 H 0 0 0 0 0 -2.3503 0.6350 1.4228 N 0 0 0 0 0 -1.4162 -0.7045 -0.7187 H 0 0 0 0 0 -0.4907 -2.9980 -0.6899 H 0 0 0 0 0 5.6264 -6.1373 1.4904 H 0 0 0 0 0 4.9267 -9.4048 1.5407 H 0 0 0 0 0 3.5117 -10.2581 1.7254 H 0 0 0 0 0 -2.3425 1.1233 2.2889 H 0 0 0 0 0 -2.1341 1.1980 0.6325 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 19 29 1 0 0 0 19 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 M END FL_086.MOL 8 7 9 X 3.700 3-atoms Rotated coordinates no 31 33 0 0 0 0 0 0 0 0 0 3.9258 -7.0182 1.5251 C 0 0 0 0 0 3.2477 -8.2657 1.5120 C 0 0 0 0 0 1.8391 -8.2681 1.4960 C 0 0 0 0 0 1.1221 -7.0681 1.4777 C 0 0 0 0 0 1.8199 -5.8524 1.4792 C 0 0 0 0 0 3.2248 -5.8249 1.5058 C 0 0 0 0 0 1.1980 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9431 -5.7292 1.4577 C 0 0 0 0 0 -0.3516 -7.0658 1.4642 C 0 0 0 0 0 -0.7207 -3.2389 1.4611 C 0 0 0 0 0 -1.1405 -2.6669 2.6665 C 0 0 0 0 0 -1.6726 -1.3791 2.6594 C 0 0 0 0 0 -1.7923 -0.6630 1.4746 C 0 0 0 0 0 -1.3751 -1.2328 0.2483 C 0 0 0 0 0 -0.8212 -2.5346 0.2619 C 0 0 0 0 0 -1.0297 -8.1030 1.4633 O 0 0 0 0 0 5.0267 -6.9926 1.5398 H 0 0 0 0 0 3.9672 -9.4643 1.4275 N 0 0 0 0 0 1.2689 -9.2123 1.4893 H 0 0 0 0 0 3.7483 -4.8578 1.5112 H 0 0 0 0 0 -2.0415 -5.6685 1.4516 H 0 0 0 0 0 -1.0510 -3.2287 3.6069 H 0 0 0 0 0 -2.0036 -0.9225 3.6050 H 0 0 0 0 0 -2.2221 0.3500 1.4939 H 0 0 0 0 0 -1.5809 -0.5594 -0.9590 N 0 0 0 0 0 -0.4750 -3.0017 -0.6724 H 0 0 0 0 0 4.8877 -9.4145 1.8045 H 0 0 0 0 0 3.4610 -10.2653 1.7362 H 0 0 0 0 0 -1.6576 0.4293 -0.8731 H 0 0 0 0 0 -0.9876 -0.8493 -1.7040 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 19 29 1 0 0 0 26 30 1 0 0 0 26 31 1 0 0 0 M END FL_087.MOL 8 7 9 X 3.650 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9685 -6.9485 1.4996 C 0 0 0 0 0 3.3433 -8.2113 1.4830 C 0 0 0 0 0 1.9147 -8.2561 1.4858 C 0 0 0 0 0 1.1474 -7.0740 1.4707 C 0 0 0 0 0 1.8333 -5.8433 1.4720 C 0 0 0 0 0 3.2307 -5.7733 1.4935 C 0 0 0 0 0 1.1965 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9291 -5.7385 1.4577 C 0 0 0 0 0 -0.3214 -7.0651 1.4615 C 0 0 0 0 0 -0.7173 -3.2431 1.4535 C 0 0 0 0 0 -1.1625 -2.6581 2.6445 C 0 0 0 0 0 -1.6795 -1.3702 2.6465 C 0 0 0 0 0 -1.7717 -0.6305 1.4414 C 0 0 0 0 0 -1.3065 -1.2302 0.2451 C 0 0 0 0 0 -0.7874 -2.5173 0.2591 C 0 0 0 0 0 -1.0117 -8.1011 1.4579 O 0 0 0 0 0 5.0689 -6.8859 1.5086 H 0 0 0 0 0 4.1187 -9.3791 1.3749 N 0 0 0 0 0 1.3728 -9.5133 1.5263 O 0 0 0 0 0 3.7276 -4.7927 1.5014 H 0 0 0 0 0 -2.0285 -5.6947 1.4507 H 0 0 0 0 0 -1.0996 -3.2212 3.5887 H 0 0 0 0 0 -2.0260 -0.9291 3.5929 H 0 0 0 0 0 -2.3715 0.6251 1.4225 N 0 0 0 0 0 -1.3600 -0.6799 -0.7061 H 0 0 0 0 0 -0.4253 -2.9695 -0.6774 H 0 0 0 0 0 4.9317 -9.3543 1.9537 H 0 0 0 0 0 3.5864 -10.2141 1.5106 H 0 0 0 0 0 0.4069 -9.4691 1.4244 H 0 0 0 0 0 -2.3949 1.1013 2.2946 H 0 0 0 0 0 -2.1405 1.1992 0.6446 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 19 29 1 0 0 0 20 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 M END FL_088.MOL 8 7 9 X 3.490 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9746 -6.9814 1.4876 C 0 0 0 0 0 3.3187 -8.1998 1.4905 C 0 0 0 0 0 1.9126 -8.2546 1.4719 C 0 0 0 0 0 1.1525 -7.0661 1.4596 C 0 0 0 0 0 1.8458 -5.8394 1.4582 C 0 0 0 0 0 3.2647 -5.7609 1.4623 C 0 0 0 0 0 1.1960 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9301 -5.7364 1.4577 C 0 0 0 0 0 -0.3158 -7.0597 1.4527 C 0 0 0 0 0 -0.7144 -3.2419 1.4509 C 0 0 0 0 0 -1.1087 -2.6325 2.6474 C 0 0 0 0 0 -1.6271 -1.3453 2.6449 C 0 0 0 0 0 -1.7727 -0.6321 1.4291 C 0 0 0 0 0 -1.3571 -1.2557 0.2267 C 0 0 0 0 0 -0.8369 -2.5421 0.2452 C 0 0 0 0 0 -1.0012 -8.0986 1.4439 O 0 0 0 0 0 5.0767 -6.9659 1.4984 H 0 0 0 0 0 3.8847 -9.1432 1.5031 H 0 0 0 0 0 1.3913 -9.5174 1.4731 O 0 0 0 0 0 3.9526 -4.5396 1.3490 N 0 0 0 0 0 -2.0296 -5.6935 1.4560 H 0 0 0 0 0 -1.0069 -3.1776 3.5989 H 0 0 0 0 0 -1.9342 -0.8856 3.5960 H 0 0 0 0 0 -2.3761 0.6211 1.4067 N 0 0 0 0 0 -1.4510 -0.7253 -0.7326 H 0 0 0 0 0 -0.5162 -3.0149 -0.6965 H 0 0 0 0 0 0.4198 -9.4828 1.4579 H 0 0 0 0 0 3.3779 -3.7477 1.5511 H 0 0 0 0 0 4.8005 -4.5293 1.8765 H 0 0 0 0 0 -2.3686 1.1187 2.2670 H 0 0 0 0 0 -2.1829 1.1769 0.6056 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 20 28 1 0 0 0 21 29 1 0 0 0 21 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 M END FL_089.MOL 8 7 9 X 3.480 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9439 -7.0199 1.4048 C 0 0 0 0 0 3.2482 -8.2490 1.3934 C 0 0 0 0 0 1.8676 -8.2596 1.4075 C 0 0 0 0 0 1.1396 -7.0573 1.4316 C 0 0 0 0 0 1.8375 -5.8426 1.4417 C 0 0 0 0 0 3.2583 -5.7836 1.4334 C 0 0 0 0 0 1.2026 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9340 -5.7331 1.4577 C 0 0 0 0 0 -0.3287 -7.0657 1.4505 C 0 0 0 0 0 -0.7108 -3.2410 1.4516 C 0 0 0 0 0 -1.0756 -2.6190 2.6510 C 0 0 0 0 0 -1.6067 -1.3369 2.6471 C 0 0 0 0 0 -1.7763 -0.6328 1.4290 C 0 0 0 0 0 -1.4006 -1.2734 0.2221 C 0 0 0 0 0 -0.8687 -2.5548 0.2422 C 0 0 0 0 0 -1.0017 -8.1066 1.4586 O 0 0 0 0 0 5.3071 -7.1225 1.3910 O 0 0 0 0 0 3.8290 -9.1828 1.3726 H 0 0 0 0 0 1.3081 -9.2107 1.3989 H 0 0 0 0 0 3.9945 -4.5687 1.4481 N 0 0 0 0 0 -2.0330 -5.6827 1.4585 H 0 0 0 0 0 -0.9440 -3.1511 3.6063 H 0 0 0 0 0 -1.8883 -0.8671 3.6014 H 0 0 0 0 0 -2.2270 0.6832 1.4248 N 0 0 0 0 0 -1.5195 -0.7531 -0.7402 H 0 0 0 0 0 -0.5720 -3.0364 -0.7025 H 0 0 0 0 0 5.6964 -6.2330 1.3770 H 0 0 0 0 0 3.7056 -3.9869 0.6826 H 0 0 0 0 0 3.8197 -4.0791 2.3072 H 0 0 0 0 0 -2.7393 0.9661 2.2284 H 0 0 0 0 0 -2.5966 1.0093 0.5617 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 21 29 1 0 0 0 21 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 M END FL_090.MOL 8 7 9 X 3.420 3-atoms Rotated coordinates no 35 37 0 0 0 0 0 0 0 0 0 3.9488 -7.0296 1.4290 C 0 0 0 0 0 3.2372 -8.2433 1.4125 C 0 0 0 0 0 1.8447 -8.2715 1.4124 C 0 0 0 0 0 1.1390 -7.0605 1.4282 C 0 0 0 0 0 1.8331 -5.8481 1.4353 C 0 0 0 0 0 3.2636 -5.8034 1.4289 C 0 0 0 0 0 1.1970 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9385 -5.7322 1.4577 C 0 0 0 0 0 -0.3368 -7.0626 1.4449 C 0 0 0 0 0 -0.7072 -3.2383 1.4496 C 0 0 0 0 0 -1.0899 -2.6192 2.6445 C 0 0 0 0 0 -1.5889 -1.3239 2.6388 C 0 0 0 0 0 -1.7253 -0.6119 1.4216 C 0 0 0 0 0 -1.3266 -1.2477 0.2199 C 0 0 0 0 0 -0.8257 -2.5416 0.2416 C 0 0 0 0 0 -1.0063 -8.1055 1.4476 O 0 0 0 0 0 5.0485 -7.0634 1.4300 H 0 0 0 0 0 4.0405 -9.3689 1.4041 O 0 0 0 0 0 1.2737 -9.2120 1.4026 H 0 0 0 0 0 3.9602 -4.5958 1.3427 N 0 0 0 0 0 -2.0371 -5.6790 1.4608 H 0 0 0 0 0 -0.9947 -3.1621 3.5978 H 0 0 0 0 0 -1.8869 -0.8560 3.5890 H 0 0 0 0 0 -2.3035 0.6544 1.3976 N 0 0 0 0 0 -1.4178 -0.7202 -0.7414 H 0 0 0 0 0 -0.5176 -3.0229 -0.6999 H 0 0 0 0 0 3.3636 -10.6195 1.3355 C 0 0 0 0 0 3.4265 -3.7941 1.6002 H 0 0 0 0 0 4.8685 -4.6199 1.7510 H 0 0 0 0 0 -2.2732 1.1549 2.2560 H 0 0 0 0 0 -2.0966 1.2026 0.5944 H 0 0 0 0 0 4.1992 -11.3645 1.3138 H 0 0 0 0 0 2.7234 -10.7706 2.2386 H 0 0 0 0 0 2.7500 -10.6868 0.4044 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 19 28 1 0 0 0 21 29 1 0 0 0 21 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 28 35 1 0 0 0 M END FL_091.MOL 8 7 9 X 3.300 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9241 -7.0189 1.5017 C 0 0 0 0 0 3.2510 -8.2824 1.4813 C 0 0 0 0 0 1.8469 -8.2668 1.4759 C 0 0 0 0 0 1.1259 -7.0661 1.4698 C 0 0 0 0 0 1.8217 -5.8506 1.4697 C 0 0 0 0 0 3.2247 -5.8150 1.4885 C 0 0 0 0 0 1.2000 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9405 -5.7300 1.4577 C 0 0 0 0 0 -0.3455 -7.0666 1.4632 C 0 0 0 0 0 -0.7147 -3.2367 1.4623 C 0 0 0 0 0 -1.0955 -2.6484 2.6725 C 0 0 0 0 0 -1.6205 -1.3573 2.6661 C 0 0 0 0 0 -1.7686 -0.6530 1.4776 C 0 0 0 0 0 -1.3887 -1.2388 0.2467 C 0 0 0 0 0 -0.8450 -2.5446 0.2588 C 0 0 0 0 0 -1.0238 -8.1040 1.4651 O 0 0 0 0 0 5.3006 -7.0521 1.5513 O 0 0 0 0 0 3.9607 -9.4862 1.3748 N 0 0 0 0 0 1.2731 -9.2100 1.4696 H 0 0 0 0 0 3.7482 -4.8489 1.4962 H 0 0 0 0 0 -2.0393 -5.6730 1.4542 H 0 0 0 0 0 -0.9800 -3.1989 3.6168 H 0 0 0 0 0 -1.9228 -0.8886 3.6154 H 0 0 0 0 0 -2.1907 0.3629 1.4983 H 0 0 0 0 0 -1.6214 -0.5779 -0.9621 N 0 0 0 0 0 -0.5293 -3.0253 -0.6794 H 0 0 0 0 0 5.6251 -6.1405 1.5065 H 0 0 0 0 0 4.9195 -9.4063 1.6402 H 0 0 0 0 0 3.5013 -10.2570 1.8103 H 0 0 0 0 0 -1.6924 0.4121 -0.8872 H 0 0 0 0 0 -1.0497 -0.8805 -1.7186 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 19 29 1 0 0 0 19 30 1 0 0 0 26 31 1 0 0 0 26 32 1 0 0 0 M END FL_092.MOL 8 7 9 X 3.120 3-atoms Rotated coordinates no 34 36 0 0 0 0 0 0 0 0 0 3.9297 -7.0496 1.4195 C 0 0 0 0 0 3.2391 -8.2921 1.3862 C 0 0 0 0 0 1.8329 -8.2737 1.3946 C 0 0 0 0 0 1.1356 -7.0641 1.4189 C 0 0 0 0 0 1.8297 -5.8505 1.4288 C 0 0 0 0 0 3.2547 -5.8077 1.4187 C 0 0 0 0 0 1.1963 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9398 -5.7314 1.4577 C 0 0 0 0 0 -0.3412 -7.0628 1.4402 C 0 0 0 0 0 -0.7124 -3.2404 1.4427 C 0 0 0 0 0 -1.0542 -2.5969 2.6370 C 0 0 0 0 0 -1.5773 -1.3112 2.6195 C 0 0 0 0 0 -1.7595 -0.6259 1.3930 C 0 0 0 0 0 -1.4106 -1.2896 0.1909 C 0 0 0 0 0 -0.8880 -2.5747 0.2241 C 0 0 0 0 0 -1.0141 -8.1034 1.4414 O 0 0 0 0 0 5.3120 -7.0582 1.5335 O 0 0 0 0 0 3.9469 -9.4917 1.2651 N 0 0 0 0 0 1.2511 -9.2100 1.3754 H 0 0 0 0 0 3.9646 -4.6087 1.3262 N 0 0 0 0 0 -2.0382 -5.6753 1.4635 H 0 0 0 0 0 -0.9109 -3.1136 3.5990 H 0 0 0 0 0 -1.8415 -0.8234 3.5696 H 0 0 0 0 0 -2.1953 0.6960 1.3739 N 0 0 0 0 0 -1.5410 -0.7846 -0.7778 H 0 0 0 0 0 -0.6104 -3.0756 -0.7168 H 0 0 0 0 0 5.6560 -6.9865 0.6290 H 0 0 0 0 0 4.8839 -9.4395 1.6041 H 0 0 0 0 0 3.4507 -10.2909 1.5934 H 0 0 0 0 0 3.4362 -3.8029 1.5844 H 0 0 0 0 0 4.8669 -4.6486 1.7511 H 0 0 0 0 0 -2.6955 0.9935 2.1798 H 0 0 0 0 0 -2.5796 1.0079 0.5118 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 28 1 0 0 0 19 29 1 0 0 0 19 30 1 0 0 0 21 31 1 0 0 0 21 32 1 0 0 0 25 33 1 0 0 0 25 34 1 0 0 0 M END FL_093.MOL 8 7 9 X 2.810 3-atoms Rotated coordinates no 34 36 0 0 0 0 0 0 0 0 0 3.9893 -7.0165 1.4358 C 0 0 0 0 0 3.2571 -8.2471 1.4305 C 0 0 0 0 0 1.8627 -8.2486 1.4366 C 0 0 0 0 0 1.1484 -7.0458 1.4457 C 0 0 0 0 0 1.8445 -5.8273 1.4532 C 0 0 0 0 0 3.2694 -5.7926 1.4562 C 0 0 0 0 0 1.2092 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9346 -5.7297 1.4577 C 0 0 0 0 0 -0.3248 -7.0611 1.4499 C 0 0 0 0 0 -0.6978 -3.2328 1.4533 C 0 0 0 0 0 -0.9660 -2.5854 2.6647 C 0 0 0 0 0 -1.4756 -1.2889 2.6657 C 0 0 0 0 0 -1.7115 -0.6452 1.4407 C 0 0 0 0 0 -1.4350 -1.2844 0.2220 C 0 0 0 0 0 -0.9239 -2.5803 0.2358 C 0 0 0 0 0 -0.9848 -8.1060 1.4456 O 0 0 0 0 0 5.3283 -7.1490 1.4170 O 0 0 0 0 0 3.9717 -9.5511 1.4226 N 0 0 0 0 0 1.2975 -9.2061 1.4340 H 0 0 0 0 0 3.9608 -4.4889 1.4846 N 0 0 0 0 0 -2.0354 -5.6844 1.4619 H 0 0 0 0 0 -0.7721 -3.0956 3.6212 H 0 0 0 0 0 -1.6880 -0.7730 3.6189 H 0 0 0 0 0 -2.2596 0.7403 1.4342 N 0 0 0 0 0 -1.6177 -0.7662 -0.7358 H 0 0 0 0 0 -0.6953 -3.0869 -0.7150 H 0 0 0 0 0 5.1684 -9.5655 1.4097 O 0 0 0 0 0 3.3081 -10.5541 1.4313 O 0 0 0 0 0 3.3140 -3.4822 1.4817 O 0 0 0 0 0 5.1683 -4.4718 1.5132 O 0 0 0 0 0 -2.4768 1.2810 2.4843 O 0 0 0 0 0 -2.4696 1.2740 0.3792 O 0 0 0 0 0 5.8079 -6.2986 1.4284 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 34 1 0 0 0 19 28 2 0 0 0 19 29 2 0 0 0 21 30 2 0 0 0 21 31 2 0 0 0 25 32 2 0 0 0 25 33 2 0 0 0 M END FL_094.MOL 8 7 9 X 2.790 3-atoms Rotated coordinates no 35 37 0 0 0 0 0 0 0 0 0 3.9594 -6.9688 1.8813 C 0 0 0 0 0 3.2983 -8.1907 1.8618 C 0 0 0 0 0 1.9100 -8.2454 1.7036 C 0 0 0 0 0 1.1555 -7.0631 1.5629 C 0 0 0 0 0 1.8410 -5.8384 1.5799 C 0 0 0 0 0 3.2578 -5.7561 1.7306 C 0 0 0 0 0 1.1993 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9262 -5.7403 1.4577 C 0 0 0 0 0 -0.3144 -7.0672 1.4361 C 0 0 0 0 0 -0.7168 -3.2489 1.4220 C 0 0 0 0 0 -1.8303 -2.9095 2.2019 C 0 0 0 0 0 -2.3541 -1.6258 2.1633 C 0 0 0 0 0 -1.7832 -0.6395 1.3204 C 0 0 0 0 0 -0.6544 -0.9928 0.5397 C 0 0 0 0 0 -0.1355 -2.2778 0.5961 C 0 0 0 0 0 -0.9899 -8.0972 1.3062 O 0 0 0 0 0 5.0530 -6.9522 2.0139 H 0 0 0 0 0 3.8625 -9.1275 1.9853 H 0 0 0 0 0 1.2986 -9.4843 1.8174 O 0 0 0 0 0 3.9462 -4.5370 1.6498 N 0 0 0 0 0 -2.0252 -5.6980 1.4456 H 0 0 0 0 0 -2.2904 -3.6681 2.8552 H 0 0 0 0 0 -3.2284 -1.3810 2.7849 H 0 0 0 0 0 -2.3566 0.6226 1.2109 N 0 0 0 0 0 -0.1876 -0.2505 -0.1248 H 0 0 0 0 0 0.7450 -2.5427 -0.0113 H 0 0 0 0 0 0.9875 -10.0942 0.5624 C 0 0 0 0 0 3.3600 -3.7394 1.7811 H 0 0 0 0 0 4.7627 -4.5095 2.2228 H 0 0 0 0 0 -2.9336 0.9015 1.9703 H 0 0 0 0 0 -1.7634 1.3366 0.8563 H 0 0 0 0 0 1.9310 -10.3534 0.0234 H 0 0 0 0 0 0.4241 -11.0153 0.8543 H 0 0 0 0 0 0.3467 -9.4230 -0.0581 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 20 28 1 0 0 0 21 29 1 0 0 0 21 30 1 0 0 0 25 31 1 0 0 0 25 32 1 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 28 35 1 0 0 0 M END FL_095.MOL 8 7 9 X 2.730 3-atoms Rotated coordinates no 32 34 0 0 0 0 0 0 0 0 0 3.9594 -7.0342 1.4156 C 0 0 0 0 0 3.2382 -8.2571 1.4124 C 0 0 0 0 0 1.8616 -8.2570 1.4261 C 0 0 0 0 0 1.1392 -7.0479 1.4421 C 0 0 0 0 0 1.8366 -5.8353 1.4463 C 0 0 0 0 0 3.2642 -5.8013 1.4362 C 0 0 0 0 0 1.2049 -4.6104 1.4577 O 0 0 0 0 0 -0.1864 -4.6104 1.4577 C 0 0 0 0 0 -0.9390 -5.7280 1.4577 C 0 0 0 0 0 -0.3308 -7.0601 1.4560 C 0 0 0 0 0 -0.7006 -3.2329 1.4557 C 0 0 0 0 0 -0.9885 -2.5964 2.6685 C 0 0 0 0 0 -1.4974 -1.2996 2.6725 C 0 0 0 0 0 -1.7140 -0.6456 1.4493 C 0 0 0 0 0 -1.4151 -1.2730 0.2296 C 0 0 0 0 0 -0.9056 -2.5693 0.2407 C 0 0 0 0 0 -0.9963 -8.1035 1.4648 O 0 0 0 0 0 5.3039 -7.2012 1.4003 O 0 0 0 0 0 3.8151 -9.1956 1.3990 H 0 0 0 0 0 1.2928 -9.2050 1.4241 H 0 0 0 0 0 3.9653 -4.5063 1.4500 N 0 0 0 0 0 -2.0390 -5.6792 1.4573 H 0 0 0 0 0 -0.8099 -3.1154 3.6231 H 0 0 0 0 0 -1.7243 -0.7910 3.6259 H 0 0 0 0 0 -2.2647 0.7382 1.4461 N 0 0 0 0 0 -1.5778 -0.7444 -0.7257 H 0 0 0 0 0 -0.6592 -3.0669 -0.7101 H 0 0 0 0 0 3.3340 -3.4898 1.4998 O 0 0 0 0 0 5.1741 -4.4999 1.4114 O 0 0 0 0 0 -2.4950 1.2720 2.4972 O 0 0 0 0 0 -2.4664 1.2795 0.3928 O 0 0 0 0 0 5.7899 -6.3575 1.3980 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 18 1 0 0 0 2 3 1 0 0 0 2 19 1 0 0 0 3 4 2 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 6 21 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 9 22 1 0 0 0 10 17 2 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 24 1 0 0 0 14 15 1 0 0 0 14 25 1 0 0 0 15 16 2 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 18 32 1 0 0 0 21 28 2 0 0 0 21 29 2 0 0 0 25 30 2 0 0 0 25 31 2 0 0 0 M END