J1H Converted by convert_cif2sdf.py 2024/03/29 11:09:15 108113 0 0 0 0 0 0 0 0999 V2000 -9.5193 1.1674 2.3116 C 0 0 0 0 0 -9.6930 2.5066 2.5955 C 0 0 0 0 0 -10.3914 3.3175 1.7180 C 0 0 0 0 0 -10.6062 5.0019 2.0809 CL 0 0 0 0 0 -10.9193 2.7907 0.5519 C 0 0 0 0 0 -10.7519 1.4531 0.2593 C 0 0 0 0 0 -10.0445 0.6331 1.1369 C 0 0 0 0 0 -9.8604 -0.8058 0.8268 C 0 0 0 0 0 -10.2909 -1.7763 1.7289 C 0 0 0 0 0 -10.1165 -3.1138 1.4351 C 0 0 0 0 0 -9.5174 -3.4913 0.2478 C 0 0 0 0 0 -9.0889 -2.5319 -0.6519 C 0 0 0 0 0 -9.2627 -1.1926 -0.3721 C 0 0 0 0 0 -8.7961 -0.1486 -1.3531 C 0 0 0 0 0 -7.5212 0.4196 -0.8937 N 0 0 0 0 0 -7.1530 1.5987 -1.6902 C 0 0 0 0 0 -5.8647 2.2069 -1.1306 C 0 0 0 0 0 -6.4529 -0.5881 -0.9252 C 0 0 0 0 0 -5.1647 0.0192 -0.3666 C 0 0 0 0 0 -4.7965 1.1983 -1.1622 N 0 0 0 0 0 -3.5906 1.7365 -0.7275 C 0 0 0 0 0 -2.9070 1.1443 0.3308 C 0 0 0 0 0 -1.7133 1.6747 0.7634 C 0 0 0 0 0 -3.0655 2.8631 -1.3555 C 0 0 0 0 0 -1.8719 3.3969 -0.9288 C 0 0 0 0 0 -1.1860 2.8091 0.1388 C 0 0 0 0 0 0.0929 3.3801 0.6002 C 0 0 0 0 0 0.6909 2.8638 1.5254 O 0 0 0 0 0 0.5996 4.4734 -0.0032 N 0 0 0 0 0 2.0358 5.1137 0.5148 S 0 0 0 0 0 2.3109 6.2207 -0.3333 O 0 0 0 0 0 1.9410 5.2227 1.9283 O 0 0 0 0 0 3.2878 3.9175 0.1908 C 0 0 0 0 0 3.9560 3.9274 -1.0196 C 0 0 0 0 0 4.9379 2.9911 -1.2767 C 0 0 0 0 0 5.6525 3.0027 -2.5726 N 0 3 0 0 0 5.9616 1.9529 -3.1078 O 0 5 0 0 0 5.9309 4.0628 -3.1049 O 0 0 0 0 0 3.6057 2.9738 1.1510 C 0 0 0 0 0 4.5867 2.0351 0.9007 C 0 0 0 0 0 5.2556 2.0385 -0.3171 C 0 0 0 0 0 6.2484 1.0900 -0.5733 N 0 0 0 0 0 6.4684 -0.0119 0.3664 C 0 0 0 0 0 7.9085 -0.5122 0.2377 C 0 0 0 0 0 8.8734 0.5921 0.6754 C 0 0 0 0 0 10.2558 0.1120 0.5516 N 0 3 0 0 0 10.4426 -1.0686 1.4054 C 0 0 0 0 0 10.5254 -0.2479 -0.8471 C 0 0 0 0 0 11.1819 1.1716 0.9718 C 0 0 0 0 0 12.6004 0.6758 0.8541 C 0 0 0 0 0 13.6188 1.4521 1.2555 O 0 0 0 0 0 12.8205 -0.4210 0.3969 O 0 0 0 0 0 5.5018 -1.1543 0.0487 C 0 0 0 0 0 3.7940 -0.5609 0.2021 S 0 0 0 0 0 2.8410 -1.9892 -0.1943 C 0 0 0 0 0 3.4759 -3.1842 -0.5125 C 0 0 0 0 0 2.7269 -4.3011 -0.8223 C 0 0 0 0 0 1.3449 -4.2327 -0.8174 C 0 0 0 0 0 0.7099 -3.0456 -0.5016 C 0 0 0 0 0 1.4531 -1.9251 -0.1845 C 0 0 0 0 0 -8.9735 0.5356 2.9969 H 0 0 0 0 0 -9.2818 2.9226 3.5039 H 0 0 0 0 0 -11.4639 3.4273 -0.1291 H 0 0 0 0 0 -11.1611 1.0434 -0.6528 H 0 0 0 0 0 -10.7575 -1.4827 2.6576 H 0 0 0 0 0 -10.4497 -3.8667 2.1348 H 0 0 0 0 0 -9.3839 -4.5390 0.0216 H 0 0 0 0 0 -8.6254 -2.8324 -1.5810 H 0 0 0 0 0 -8.6574 -0.6064 -2.3328 H 0 0 0 0 0 -9.5419 0.6428 -1.4244 H 0 0 0 0 0 -6.9949 1.3024 -2.7270 H 0 0 0 0 0 -7.9545 2.3354 -1.6408 H 0 0 0 0 0 -5.5740 3.0639 -1.7375 H 0 0 0 0 0 -6.0309 2.5289 -0.1030 H 0 0 0 0 0 -6.7436 -1.4461 -0.3183 H 0 0 0 0 0 -6.2868 -0.9100 -1.9538 H 0 0 0 0 0 -5.3228 0.3164 0.6712 H 0 0 0 0 0 -4.3632 -0.7175 -0.4160 H 0 0 0 0 0 -3.3147 0.2687 0.8140 H 0 0 0 0 0 -1.1841 1.2152 1.5858 H 0 0 0 0 0 -3.5958 3.3177 -2.1792 H 0 0 0 0 0 -1.4654 4.2707 -1.4160 H 0 0 0 0 0 0.1236 4.8843 -0.7409 H 0 0 0 0 0 3.7084 4.6684 -1.7655 H 0 0 0 0 0 3.0855 2.9712 2.0977 H 0 0 0 0 0 4.8335 1.2979 1.6509 H 0 0 0 0 0 6.7916 1.1618 -1.3732 H 0 0 0 0 0 6.2951 0.3378 1.3838 H 0 0 0 0 0 8.0467 -1.3886 0.8706 H 0 0 0 0 0 8.1088 -0.7787 -0.8006 H 0 0 0 0 0 8.7342 1.4676 0.0415 H 0 0 0 0 0 8.6731 0.8587 1.7127 H 0 0 0 0 0 9.8211 -1.8855 1.0376 H 0 0 0 0 0 11.4893 -1.3713 1.3836 H 0 0 0 0 0 10.1557 -0.8264 2.4288 H 0 0 0 0 0 10.5120 0.6515 -1.4634 H 0 0 0 0 0 11.5053 -0.7214 -0.9182 H 0 0 0 0 0 9.7612 -0.9403 -1.1982 H 0 0 0 0 0 11.0485 2.0453 0.3336 H 0 0 0 0 0 10.9776 1.4433 2.0076 H 0 0 0 0 0 14.5107 1.0911 1.1598 H 0 0 0 0 0 5.6751 -1.5040 -0.9687 H 0 0 0 0 0 5.6654 -1.9748 0.7473 H 0 0 0 0 0 4.5549 -3.2388 -0.5174 H 0 0 0 0 0 3.2188 -5.2305 -1.0702 H 0 0 0 0 0 0.7618 -5.1075 -1.0605 H 0 0 0 0 0 -0.3692 -2.9949 -0.4989 H 0 0 0 0 0 0.9562 -0.9999 0.0664 H 0 0 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 18 15 1 0 0 0 23 22 2 0 0 0 23 26 1 0 0 0 22 21 1 0 0 0 28 27 2 0 0 0 15 14 1 0 0 0 15 16 1 0 0 0 27 26 1 0 0 0 27 29 1 0 0 0 26 25 2 0 0 0 21 20 1 0 0 0 21 24 2 0 0 0 20 17 1 0 0 0 14 13 1 0 0 0 32 30 2 0 0 0 12 13 2 0 0 0 12 11 1 0 0 0 13 8 1 0 0 0 25 24 1 0 0 0 29 30 1 0 0 0 17 16 1 0 0 0 39 40 2 0 0 0 39 33 1 0 0 0 11 10 2 0 0 0 30 33 1 0 0 0 30 31 2 0 0 0 57 56 2 0 0 0 57 58 1 0 0 0 56 55 1 0 0 0 40 41 1 0 0 0 53 54 1 0 0 0 53 43 1 0 0 0 33 34 2 0 0 0 8 7 1 0 0 0 8 9 2 0 0 0 6 7 2 0 0 0 6 5 1 0 0 0 10 9 1 0 0 0 58 59 2 0 0 0 55 54 1 0 0 0 55 60 2 0 0 0 52 50 2 0 0 0 43 42 1 0 0 0 43 44 1 0 0 0 7 1 1 0 0 0 5 3 2 0 0 0 41 42 1 0 0 0 41 35 2 0 0 0 45 44 1 0 0 0 45 46 1 0 0 0 34 35 1 0 0 0 48 46 1 0 0 0 51 50 1 0 0 0 50 49 1 0 0 0 59 60 1 0 0 0 35 36 1 0 0 0 1 2 2 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 46 49 1 0 0 0 46 47 1 0 0 0 36 38 2 0 0 0 36 37 1 0 0 0 1 61 1 0 0 0 2 62 1 0 0 0 5 63 1 0 0 0 6 64 1 0 0 0 9 65 1 0 0 0 10 66 1 0 0 0 11 67 1 0 0 0 12 68 1 0 0 0 14 69 1 0 0 0 14 70 1 0 0 0 16 71 1 0 0 0 16 72 1 0 0 0 17 73 1 0 0 0 17 74 1 0 0 0 18 75 1 0 0 0 18 76 1 0 0 0 19 77 1 0 0 0 19 78 1 0 0 0 22 79 1 0 0 0 23 80 1 0 0 0 24 81 1 0 0 0 25 82 1 0 0 0 29 83 1 0 0 0 34 84 1 0 0 0 39 85 1 0 0 0 40 86 1 0 0 0 42 87 1 0 0 0 43 88 1 0 0 0 44 89 1 0 0 0 44 90 1 0 0 0 45 91 1 0 0 0 45 92 1 0 0 0 47 93 1 0 0 0 47 94 1 0 0 0 47 95 1 0 0 0 48 96 1 0 0 0 48 97 1 0 0 0 48 98 1 0 0 0 49 99 1 0 0 0 49100 1 0 0 0 51101 1 0 0 0 53102 1 0 0 0 53103 1 0 0 0 56104 1 0 0 0 57105 1 0 0 0 58106 1 0 0 0 59107 1 0 0 0 60108 1 0 0 0 M END $$$$