J9K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 61 62 0 0 0 0 0 0 0 0999 V2000 -3.6022 -3.0715 -1.2967 C 0 0 0 0 0 -4.0763 -2.7330 0.1182 C 0 0 0 0 0 -5.3856 -1.9455 0.0427 C 0 0 0 0 0 -4.3053 -4.0273 0.9021 C 0 0 0 0 0 -3.0674 -1.9329 0.7886 O 0 0 0 0 0 -2.7472 -0.7542 0.2219 C 0 0 0 0 0 -3.2966 -0.4029 -0.8039 O 0 0 0 0 0 -1.8179 0.0374 0.7936 N 0 0 0 0 0 -1.4705 1.3209 0.1777 C 0 0 0 0 0 -0.0532 1.7176 0.5940 C 0 0 0 0 0 1.1330 0.5233 -0.0827 S 0 0 0 0 0 2.7287 1.1533 0.5080 C 0 0 0 0 0 3.8518 0.2402 0.0136 C 0 0 0 0 0 5.1771 0.7637 0.5046 C 0 0 0 0 0 5.2198 1.7676 1.1836 O 0 0 0 0 0 6.3165 0.1149 0.1903 N 0 0 0 0 0 7.6044 0.6237 0.6670 C 0 0 0 0 0 8.7109 -0.2757 0.1795 C 0 0 0 0 0 9.3309 -0.0313 -1.0358 C 0 0 0 0 0 10.3444 -0.8850 -1.4432 C 0 0 0 0 0 10.7012 -1.9445 -0.6298 C 0 0 0 0 0 10.0892 -2.1464 0.5204 N 0 0 0 0 0 9.1255 -1.3526 0.9425 C 0 0 0 0 0 -2.4573 2.3939 0.6414 C 0 0 0 0 0 -3.8353 2.0654 0.1271 C 0 0 0 0 0 -4.6878 1.2824 0.8830 C 0 0 0 0 0 -5.9510 0.9809 0.4105 C 0 0 0 0 0 -6.3629 1.4624 -0.8178 C 0 0 0 0 0 -5.5105 2.2454 -1.5737 C 0 0 0 0 0 -4.2491 2.5510 -1.0992 C 0 0 0 0 0 -3.4397 -2.1501 -1.8555 H 0 0 0 0 0 -2.6697 -3.6331 -1.2430 H 0 0 0 0 0 -4.3599 -3.6730 -1.7999 H 0 0 0 0 0 -6.1433 -2.5460 -0.4606 H 0 0 0 0 0 -5.7239 -1.7037 1.0500 H 0 0 0 0 0 -5.2231 -1.0231 -0.5161 H 0 0 0 0 0 -3.3718 -4.5889 0.9558 H 0 0 0 0 0 -4.6426 -3.7865 1.9105 H 0 0 0 0 0 -5.0620 -4.6278 0.3989 H 0 0 0 0 0 -1.3803 -0.2416 1.6123 H 0 0 0 0 0 -1.5174 1.2282 -0.9073 H 0 0 0 0 0 0.1737 2.7124 0.2094 H 0 0 0 0 0 0.0185 1.7244 1.6815 H 0 0 0 0 0 2.8850 2.1616 0.1258 H 0 0 0 0 0 2.7298 1.1737 1.5979 H 0 0 0 0 0 3.6955 -0.7682 0.3968 H 0 0 0 0 0 3.8506 0.2198 -1.0763 H 0 0 0 0 0 6.2832 -0.6886 -0.3525 H 0 0 0 0 0 7.7617 1.6321 0.2838 H 0 0 0 0 0 7.6065 0.6441 1.7570 H 0 0 0 0 0 9.0313 0.8038 -1.6508 H 0 0 0 0 0 10.8491 -0.7253 -2.3851 H 0 0 0 0 0 11.4896 -2.6133 -0.9408 H 0 0 0 0 0 8.6505 -1.5473 1.8927 H 0 0 0 0 0 -2.4748 2.4251 1.7312 H 0 0 0 0 0 -2.1473 3.3646 0.2555 H 0 0 0 0 0 -4.3660 0.9062 1.8432 H 0 0 0 0 0 -6.6168 0.3684 1.0011 H 0 0 0 0 0 -7.3494 1.2261 -1.1875 H 0 0 0 0 0 -5.8322 2.6216 -2.5339 H 0 0 0 0 0 -3.5842 3.1665 -1.6888 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 24 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 18 23 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 30 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 3 34 1 0 0 0 3 35 1 0 0 0 3 36 1 0 0 0 4 37 1 0 0 0 4 38 1 0 0 0 4 39 1 0 0 0 8 40 1 0 0 0 9 41 1 0 0 0 10 42 1 0 0 0 10 43 1 0 0 0 12 44 1 0 0 0 12 45 1 0 0 0 13 46 1 0 0 0 13 47 1 0 0 0 16 48 1 0 0 0 17 49 1 0 0 0 17 50 1 0 0 0 19 51 1 0 0 0 20 52 1 0 0 0 21 53 1 0 0 0 23 54 1 0 0 0 24 55 1 0 0 0 24 56 1 0 0 0 26 57 1 0 0 0 27 58 1 0 0 0 28 59 1 0 0 0 29 60 1 0 0 0 30 61 1 0 0 0 M END $$$$