001 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 87 90 0 0 0 0 0 0 0 0999 V2000 -3.3306 -0.9095 0.4130 C 0 0 0 0 0 -3.4509 -0.9512 1.7887 C 0 0 0 0 0 -4.4485 -0.2265 2.4226 C 0 0 0 0 0 -5.3332 0.5384 1.6710 C 0 0 0 0 0 -5.2057 0.5828 0.2880 C 0 0 0 0 0 -4.2041 -0.1450 -0.3381 C 0 0 0 0 0 -4.5658 -0.2687 3.7771 O 0 0 0 0 0 -3.5320 -1.1322 4.2537 C 0 0 0 0 0 -6.3146 1.2506 2.2895 O 0 0 0 0 0 -7.4590 0.3980 2.3644 C 0 0 0 0 0 -6.0651 1.3342 -0.4514 O 0 0 0 0 0 -5.6853 1.1701 -1.8195 C 0 0 0 0 0 -2.2444 -1.6982 -0.2720 C 0 0 0 0 0 -1.9552 -2.8419 0.4788 F 0 0 0 0 0 -2.6740 -2.0740 -1.5482 F 0 0 0 0 0 -1.0055 -0.8480 -0.3896 C 0 0 0 0 0 -0.1492 -0.9016 0.4684 O 0 0 0 0 0 -0.8482 -0.0286 -1.4476 N 0 0 0 0 0 -1.9161 0.1183 -2.4457 C 0 0 0 0 0 -2.2410 1.6071 -2.6031 C 0 0 0 0 0 -0.9594 2.3734 -2.9379 C 0 0 0 0 0 0.0432 2.2166 -1.7918 C 0 0 0 0 0 0.3928 0.7394 -1.6221 C 0 0 0 0 0 1.2747 0.5640 -0.4130 C 0 0 0 0 0 0.9366 1.0227 0.6528 O 0 0 0 0 0 2.4354 -0.1015 -0.5187 O 0 0 0 0 0 3.2854 -0.2697 0.6461 C 0 0 0 0 0 4.2623 0.9049 0.7398 C 0 0 0 0 0 3.4770 2.2120 0.8656 C 0 0 0 0 0 4.4531 3.3863 0.9584 C 0 0 0 0 0 3.6796 4.6746 1.0828 C 0 0 0 0 0 3.3112 5.3810 -0.0466 C 0 0 0 0 0 2.6302 6.5049 0.0541 N 0 0 0 0 0 2.2841 7.0037 1.2242 C 0 0 0 0 0 2.6216 6.3552 2.3968 C 0 0 0 0 0 3.3336 5.1682 2.3309 C 0 0 0 0 0 4.0706 -1.5768 0.5203 C 0 0 0 0 0 3.0946 -2.7511 0.4275 C 0 0 0 0 0 3.8790 -4.0586 0.3017 C 0 0 0 0 0 2.9175 -5.2141 0.2091 C 0 0 0 0 0 2.4628 -5.6383 -1.0250 C 0 0 0 0 0 1.5806 -6.6998 -1.1091 C 0 0 0 0 0 1.1540 -7.3368 0.0409 C 0 0 0 0 0 1.6091 -6.9136 1.2760 C 0 0 0 0 0 2.4948 -5.8548 1.3598 C 0 0 0 0 0 -2.7659 -1.5494 2.3719 H 0 0 0 0 0 -4.1073 -0.1141 -1.4136 H 0 0 0 0 0 -3.5856 -1.1970 5.3406 H 0 0 0 0 0 -3.6605 -2.1250 3.8234 H 0 0 0 0 0 -2.5612 -0.7322 3.9622 H 0 0 0 0 0 -8.2757 0.9285 2.8547 H 0 0 0 0 0 -7.7645 0.1106 1.3578 H 0 0 0 0 0 -7.2090 -0.4952 2.9379 H 0 0 0 0 0 -6.3498 1.7568 -2.4533 H 0 0 0 0 0 -4.6596 1.5100 -1.9550 H 0 0 0 0 0 -5.7580 0.1176 -2.0928 H 0 0 0 0 0 -1.5815 -0.2855 -3.4006 H 0 0 0 0 0 -2.8042 -0.4164 -2.1111 H 0 0 0 0 0 -2.9640 1.7379 -3.4088 H 0 0 0 0 0 -2.6609 1.9890 -1.6722 H 0 0 0 0 0 -0.5269 1.9744 -3.8551 H 0 0 0 0 0 -1.1916 3.4285 -3.0750 H 0 0 0 0 0 0.9478 2.7816 -2.0207 H 0 0 0 0 0 -0.3970 2.5919 -0.8693 H 0 0 0 0 0 0.9146 0.3825 -2.5095 H 0 0 0 0 0 2.6687 -0.3005 1.5447 H 0 0 0 0 0 4.8993 0.7787 1.6140 H 0 0 0 0 0 4.8786 0.9366 -0.1587 H 0 0 0 0 0 2.8387 2.3387 -0.0094 H 0 0 0 0 0 2.8594 2.1808 1.7633 H 0 0 0 0 0 5.0909 3.2604 1.8335 H 0 0 0 0 0 5.0702 3.4184 0.0608 H 0 0 0 0 0 3.5772 5.0035 -1.0231 H 0 0 0 0 0 1.7285 7.9300 1.2670 H 0 0 0 0 0 2.3353 6.7689 3.3528 H 0 0 0 0 0 3.6112 4.6393 3.2310 H 0 0 0 0 0 4.6878 -1.5447 -0.3773 H 0 0 0 0 0 4.7085 -1.7026 1.3954 H 0 0 0 0 0 2.4770 -2.7823 1.3252 H 0 0 0 0 0 2.4563 -2.6243 -0.4475 H 0 0 0 0 0 4.4962 -4.0264 -0.5968 H 0 0 0 0 0 4.5169 -4.1843 1.1759 H 0 0 0 0 0 2.7963 -5.1410 -1.9234 H 0 0 0 0 0 1.2246 -7.0307 -2.0732 H 0 0 0 0 0 0.4637 -8.1654 -0.0248 H 0 0 0 0 0 1.2757 -7.4108 2.1744 H 0 0 0 0 0 2.8508 -5.5239 2.3239 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 13 1 0 0 0 2 3 1 0 0 0 2 46 1 0 0 0 3 4 2 0 0 0 3 7 1 0 0 0 4 5 1 0 0 0 4 9 1 0 0 0 5 6 2 0 0 0 5 11 1 0 0 0 6 47 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 8 50 1 0 0 0 9 10 1 0 0 0 10 51 1 0 0 0 10 52 1 0 0 0 10 53 1 0 0 0 11 12 1 0 0 0 12 54 1 0 0 0 12 55 1 0 0 0 12 56 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 18 23 1 0 0 0 19 20 1 0 0 0 19 57 1 0 0 0 19 58 1 0 0 0 20 21 1 0 0 0 20 59 1 0 0 0 20 60 1 0 0 0 21 22 1 0 0 0 21 61 1 0 0 0 21 62 1 0 0 0 22 23 1 0 0 0 22 63 1 0 0 0 22 64 1 0 0 0 23 24 1 0 0 0 23 65 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 27 37 1 0 0 0 27 66 1 0 0 0 28 29 1 0 0 0 28 67 1 0 0 0 28 68 1 0 0 0 29 30 1 0 0 0 29 69 1 0 0 0 29 70 1 0 0 0 30 31 1 0 0 0 30 71 1 0 0 0 30 72 1 0 0 0 31 32 2 0 0 0 31 36 1 0 0 0 32 33 1 0 0 0 32 73 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 34 74 1 0 0 0 35 36 2 0 0 0 35 75 1 0 0 0 36 76 1 0 0 0 37 38 1 0 0 0 37 77 1 0 0 0 37 78 1 0 0 0 38 39 1 0 0 0 38 79 1 0 0 0 38 80 1 0 0 0 39 40 1 0 0 0 39 81 1 0 0 0 39 82 1 0 0 0 40 41 2 0 0 0 40 45 1 0 0 0 41 42 1 0 0 0 41 83 1 0 0 0 42 43 2 0 0 0 42 84 1 0 0 0 43 44 1 0 0 0 43 85 1 0 0 0 44 45 2 0 0 0 44 86 1 0 0 0 45 87 1 0 0 0 M END $$$$