9MX Converted by convert_cif2sdf.py 2024/03/29 11:09:15 79 82 0 0 0 0 0 0 0 0999 V2000 3.6903 -1.1834 0.2984 C 0 0 0 0 0 5.0838 -0.6987 -0.1078 C 0 0 0 0 0 5.2461 0.7742 0.2818 C 0 0 0 0 0 6.1459 -1.5331 0.6122 C 0 0 0 0 0 6.6289 1.1871 0.0051 N 0 0 0 0 0 7.5391 -1.0701 0.1819 C 0 0 0 0 0 7.7297 0.3979 0.5747 C 0 0 0 0 0 6.8872 2.2902 -0.7738 C 0 0 0 0 0 5.9061 3.0457 -1.1796 N 0 0 0 0 0 8.1812 2.5968 -1.1238 N 0 0 0 0 0 -1.2184 -1.8822 -1.0467 N 0 0 0 0 0 -1.0659 -0.4727 -0.6784 C 0 0 0 0 0 -2.1102 0.3480 -1.3889 C 0 0 0 0 0 -2.5192 -0.0014 -2.4761 O 0 0 0 0 0 0.3276 0.0130 -1.0847 C 0 0 0 0 0 1.3700 -0.7283 -0.2867 C 0 0 0 0 0 1.0313 -1.5620 0.5266 O 0 0 0 0 0 2.6780 -0.4634 -0.4778 N 0 0 0 0 0 -2.1033 -2.8985 -0.0831 S 0 0 0 0 0 -2.0894 -4.1680 -0.7210 O 0 0 0 0 0 -1.6457 -2.6912 1.2458 O 0 0 0 0 0 -4.1957 -1.4193 0.7829 C 0 0 0 0 0 -3.7723 -2.3371 -0.1284 C 0 0 0 0 0 -4.6381 -2.8354 -1.1007 C 0 0 0 0 0 -5.9339 -2.4218 -1.1640 C 0 0 0 0 0 -7.7396 -1.0301 -0.2688 C 0 0 0 0 0 -8.1630 -0.1132 0.6437 C 0 0 0 0 0 -7.2964 0.3895 1.6113 C 0 0 0 0 0 -6.0006 -0.0231 1.6745 C 0 0 0 0 0 -5.5272 -0.9691 0.7500 C 0 0 0 0 0 -6.4091 -1.4804 -0.2359 C 0 0 0 0 0 -2.5901 1.4699 -0.8174 N 0 0 0 0 0 -3.6475 2.2513 -1.4730 C 0 0 0 0 0 -4.8028 2.4447 -0.4862 C 0 0 0 0 0 -4.2629 3.0711 0.8070 C 0 0 0 0 0 -3.2307 2.1352 1.4410 C 0 0 0 0 0 -2.0623 1.9389 0.4710 C 0 0 0 0 0 -4.1420 1.5114 -2.6893 C 0 0 0 0 0 -4.4352 0.3420 -2.6078 O 0 0 0 0 0 -4.2564 2.1513 -3.8642 O 0 0 0 0 0 -3.5961 4.4106 0.4858 C 0 0 0 0 0 3.5366 -0.9966 1.3609 H 0 0 0 0 0 3.6070 -2.2528 0.1016 H 0 0 0 0 0 5.2065 -0.8046 -1.1856 H 0 0 0 0 0 4.5584 1.3851 -0.3026 H 0 0 0 0 0 5.0344 0.8958 1.3446 H 0 0 0 0 0 6.0379 -1.4062 1.6892 H 0 0 0 0 0 6.0170 -2.5847 0.3554 H 0 0 0 0 0 8.2947 -1.6796 0.6775 H 0 0 0 0 0 7.6396 -1.1728 -0.8989 H 0 0 0 0 0 8.6798 0.7615 0.1836 H 0 0 0 0 0 7.7200 0.4897 1.6608 H 0 0 0 0 0 6.0893 3.8243 -1.7292 H 0 0 0 0 0 8.9031 1.9916 -0.8902 H 0 0 0 0 0 8.3721 3.4172 -1.6045 H 0 0 0 0 0 -0.8002 -2.2212 -1.8537 H 0 0 0 0 0 -1.1889 -0.3629 0.3988 H 0 0 0 0 0 0.4823 -0.1747 -2.1471 H 0 0 0 0 0 0.4110 1.0815 -0.8878 H 0 0 0 0 0 2.9474 0.2035 -1.1278 H 0 0 0 0 0 -3.5126 -1.0393 1.5273 H 0 0 0 0 0 -4.2759 -3.5591 -1.8149 H 0 0 0 0 0 -6.5929 -2.8166 -1.9230 H 0 0 0 0 0 -8.4226 -1.4111 -1.0130 H 0 0 0 0 0 -9.1863 0.2311 0.6158 H 0 0 0 0 0 -7.6578 1.1171 2.3239 H 0 0 0 0 0 -5.3398 0.3754 2.4299 H 0 0 0 0 0 -3.2524 3.2220 -1.7724 H 0 0 0 0 0 -5.2515 1.4770 -0.2620 H 0 0 0 0 0 -5.5542 3.1037 -0.9222 H 0 0 0 0 0 -5.0857 3.2325 1.5036 H 0 0 0 0 0 -3.6945 1.1717 1.6521 H 0 0 0 0 0 -2.8637 2.5732 2.3690 H 0 0 0 0 0 -1.3725 1.1965 0.8744 H 0 0 0 0 0 -1.5390 2.8847 0.3292 H 0 0 0 0 0 -4.5782 1.6353 -4.6164 H 0 0 0 0 0 -4.3270 5.0808 0.0355 H 0 0 0 0 0 -3.2123 4.8543 1.4042 H 0 0 0 0 0 -2.7733 4.2481 -0.2107 H 0 0 0 0 0 15 12 1 0 0 0 13 12 1 0 0 0 12 11 1 0 0 0 12 57 1 0 0 0 32 13 1 0 0 0 13 14 2 0 0 0 11 19 1 0 0 0 11 56 1 0 0 0 15 16 1 0 0 0 15 58 1 0 0 0 15 59 1 0 0 0 33 32 1 0 0 0 37 32 1 0 0 0 20 19 2 0 0 0 19 23 1 0 0 0 19 21 2 0 0 0 18 16 1 0 0 0 16 17 2 0 0 0 36 37 1 0 0 0 37 74 1 0 0 0 37 75 1 0 0 0 35 41 1 0 0 0 35 34 1 0 0 0 35 36 1 0 0 0 35 71 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 1 18 1 0 0 0 18 60 1 0 0 0 36 72 1 0 0 0 36 73 1 0 0 0 39 38 2 0 0 0 40 38 1 0 0 0 38 33 1 0 0 0 22 30 1 0 0 0 22 61 1 0 0 0 24 25 2 0 0 0 24 62 1 0 0 0 1 2 1 0 0 0 1 42 1 0 0 0 1 43 1 0 0 0 34 33 1 0 0 0 33 68 1 0 0 0 40 76 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 25 1 0 0 0 25 63 1 0 0 0 4 2 1 0 0 0 2 3 1 0 0 0 2 44 1 0 0 0 34 69 1 0 0 0 34 70 1 0 0 0 41 77 1 0 0 0 41 78 1 0 0 0 41 79 1 0 0 0 31 26 2 0 0 0 29 28 1 0 0 0 29 67 1 0 0 0 3 5 1 0 0 0 3 45 1 0 0 0 3 46 1 0 0 0 4 6 1 0 0 0 4 47 1 0 0 0 4 48 1 0 0 0 27 26 1 0 0 0 26 64 1 0 0 0 28 27 2 0 0 0 28 66 1 0 0 0 7 5 1 0 0 0 5 8 1 0 0 0 6 7 1 0 0 0 6 49 1 0 0 0 6 50 1 0 0 0 27 65 1 0 0 0 7 51 1 0 0 0 7 52 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 54 1 0 0 0 10 55 1 0 0 0 9 53 1 0 0 0 M END $$$$