J2B Converted by convert_cif2sdf.py 2024/03/29 11:09:15 74 78 0 0 0 0 0 0 0 0999 V2000 -5.7019 1.7174 0.5830 C 0 0 0 0 0 -4.9090 0.6126 -0.1504 C 0 0 0 0 0 0.2711 0.9354 -1.1158 C 0 0 0 0 0 1.4770 0.8720 -0.1771 C 0 0 0 0 0 5.2609 0.8290 -0.8905 C 0 0 0 0 0 6.8942 -0.7224 0.2643 C 0 0 0 0 0 7.2490 -2.9905 0.3775 C 0 0 0 0 0 8.6877 -1.6475 1.5828 C 0 0 0 0 0 7.9892 -0.5188 1.1198 C 0 0 0 0 0 7.1836 1.4330 0.6282 C 0 0 0 0 0 3.9702 0.7363 -0.0739 C 0 0 0 0 0 2.7660 0.9253 -0.9990 C 0 0 0 0 0 -5.4747 -0.7035 0.4288 C 0 0 0 0 0 -4.5536 -2.5557 -1.0120 C 0 0 0 0 0 -2.4808 -3.6843 -1.2382 C 0 0 0 0 0 -4.2012 -4.3543 -2.6376 C 0 0 0 0 0 -5.0784 -3.3547 -2.0202 C 0 0 0 0 0 -6.6550 -2.0229 -1.3696 C 0 0 0 0 0 -6.6526 0.9386 1.5187 C 0 0 0 0 0 -8.0097 1.6395 1.6027 C 0 0 0 0 0 6.4060 0.5257 -0.0291 N 0 0 0 0 0 6.5633 -1.9632 -0.0772 N 0 0 0 0 0 8.2858 -2.8495 1.1828 N 0 0 0 0 0 9.7755 -1.5098 2.4279 N 0 0 0 0 0 8.1115 0.8179 1.3021 N 0 0 0 0 0 -5.5576 -1.7264 -0.6169 N 0 0 0 0 0 -3.2476 -2.7384 -0.6353 N 0 0 0 0 0 -1.1809 -3.8348 -0.8331 N 0 0 0 0 0 -2.9382 -4.4598 -2.1963 N 0 0 0 0 0 -6.3684 -2.9853 -2.1990 N 0 0 0 0 0 -4.8204 2.5457 1.3428 O 0 0 0 0 0 -3.5132 0.7257 0.1329 O 0 0 0 0 0 -0.9337 0.8869 -0.3469 O 0 0 0 0 0 5.3973 2.1500 -1.4175 O 0 0 0 0 0 3.8930 -0.5452 0.5523 O 0 0 0 0 0 2.8624 2.1914 -1.6539 O 0 0 0 0 0 1.4839 1.7923 -3.7306 O 0 0 0 0 0 2.8281 3.9272 -3.6291 O 0 0 0 0 0 -2.5190 -0.1472 -2.0164 O 0 0 0 0 0 -4.6138 -5.0807 -3.5285 O 0 0 0 0 0 -6.7950 -0.3602 0.9026 O 0 0 0 0 0 -8.8336 0.9704 2.5604 O 0 0 0 0 0 -2.3989 0.9324 -1.0110 P 0 0 0 0 0 2.7629 2.3628 -3.2516 P 0 0 0 0 0 -2.6912 2.8104 -1.9506 S 0 0 0 0 0 4.3796 1.3460 -4.1732 S 0 0 0 0 0 -6.2720 2.3145 -0.1291 H 0 0 0 0 0 -5.0865 0.6638 -1.2247 H 0 0 0 0 0 0.3010 1.8654 -1.6841 H 0 0 0 0 0 0.2986 0.0894 -1.8009 H 0 0 0 0 0 1.4494 1.7191 0.5088 H 0 0 0 0 0 1.4471 -0.0569 0.3921 H 0 0 0 0 0 5.2239 0.1121 -1.7102 H 0 0 0 0 0 6.9537 -3.9858 0.0797 H 0 0 0 0 0 7.0482 2.5042 0.5953 H 0 0 0 0 0 3.9671 1.5143 0.6895 H 0 0 0 0 0 2.7540 0.1307 -1.7460 H 0 0 0 0 0 -4.8526 -1.0530 1.2524 H 0 0 0 0 0 -7.6143 -1.5334 -1.2911 H 0 0 0 0 0 -6.2136 0.8423 2.5118 H 0 0 0 0 0 -7.8650 2.6750 1.9083 H 0 0 0 0 0 -8.4939 1.6132 0.6262 H 0 0 0 0 0 10.0634 -0.6262 2.7068 H 0 0 0 0 0 10.2491 -2.2959 2.7410 H 0 0 0 0 0 -2.8677 -2.1871 0.0669 H 0 0 0 0 0 -0.8247 -3.2721 -0.1279 H 0 0 0 0 0 -0.6176 -4.5040 -1.2510 H 0 0 0 0 0 -5.2654 3.2573 1.8229 H 0 0 0 0 0 5.4368 2.8412 -0.7426 H 0 0 0 0 0 3.8920 -1.2868 -0.0679 H 0 0 0 0 0 2.7737 4.1055 -4.5778 H 0 0 0 0 0 -9.7113 1.3613 2.6661 H 0 0 0 0 0 -2.5562 3.6807 -0.9349 H 0 0 0 0 0 5.4509 2.0541 -3.7717 H 0 0 0 0 0 1 2 1 0 0 0 1 19 1 0 0 0 1 31 1 0 0 0 2 13 1 0 0 0 2 32 1 0 0 0 3 4 1 0 0 0 3 33 1 0 0 0 4 12 1 0 0 0 5 11 1 0 0 0 5 21 1 0 0 0 5 34 1 0 0 0 6 9 2 0 0 0 6 21 1 0 0 0 6 22 1 0 0 0 7 22 2 0 0 0 7 23 1 0 0 0 8 9 1 0 0 0 8 23 2 0 0 0 8 24 1 0 0 0 9 25 1 0 0 0 10 21 1 0 0 0 10 25 2 0 0 0 11 12 1 0 0 0 11 35 1 0 0 0 12 36 1 0 0 0 13 26 1 0 0 0 13 41 1 0 0 0 14 17 2 0 0 0 14 26 1 0 0 0 14 27 1 0 0 0 15 27 1 0 0 0 15 28 1 0 0 0 15 29 2 0 0 0 16 17 1 0 0 0 16 29 1 0 0 0 16 40 2 0 0 0 17 30 1 0 0 0 18 26 1 0 0 0 18 30 2 0 0 0 19 20 1 0 0 0 19 41 1 0 0 0 20 42 1 0 0 0 32 43 1 0 0 0 33 43 1 0 0 0 36 44 1 0 0 0 37 44 2 0 0 0 38 44 1 0 0 0 39 43 2 0 0 0 43 45 1 0 0 0 44 46 1 0 0 0 1 47 1 0 0 0 2 48 1 0 0 0 3 49 1 0 0 0 3 50 1 0 0 0 4 51 1 0 0 0 4 52 1 0 0 0 5 53 1 0 0 0 7 54 1 0 0 0 10 55 1 0 0 0 11 56 1 0 0 0 12 57 1 0 0 0 13 58 1 0 0 0 18 59 1 0 0 0 19 60 1 0 0 0 20 61 1 0 0 0 20 62 1 0 0 0 24 63 1 0 0 0 24 64 1 0 0 0 27 65 1 0 0 0 28 66 1 0 0 0 28 67 1 0 0 0 31 68 1 0 0 0 34 69 1 0 0 0 35 70 1 0 0 0 38 71 1 0 0 0 42 72 1 0 0 0 45 73 1 0 0 0 46 74 1 0 0 0 M END $$$$