JA4 Converted by convert_cif2sdf.py 2024/03/01 05:07:52 60 63 0 0 0 0 0 0 0 0999 V2000 -5.6815 0.5460 2.0891 C 0 0 0 0 0 -3.4115 -0.1686 -2.3191 C 0 0 0 0 0 -0.0359 0.9601 -1.3879 C 0 0 0 0 0 -0.0014 1.7130 -0.2235 C 0 0 0 0 0 -0.4451 3.0281 -0.2370 C 0 0 0 0 0 -0.9526 2.8316 -2.5687 C 0 0 0 0 0 2.3387 -0.3177 -2.7673 O 0 0 0 0 0 1.9207 -0.5090 -1.6449 C 0 0 0 0 0 0.4389 -0.4699 -1.3766 C 0 0 0 0 0 -0.2660 -1.2275 -2.4135 N 0 0 0 0 0 -1.5717 -2.1635 -2.0117 S 0 0 0 0 0 -2.8362 -1.0782 -1.4407 C 0 0 0 0 0 -3.2431 -1.1388 -0.1382 C 0 0 0 0 0 -4.2462 -0.2760 0.3152 C 0 0 0 0 0 -4.7055 -0.3138 1.7050 C 0 0 0 0 0 -4.8320 0.6477 -0.5709 C 0 0 0 0 0 -4.4030 0.6913 -1.8934 C 0 0 0 0 0 -2.8775 -0.1133 -3.9701 CL 0 0 0 0 0 -5.8207 1.4951 -0.1178 N 0 0 0 0 0 -6.2355 1.4532 1.1606 C 0 0 0 0 0 -7.1121 2.2168 1.5262 O 0 0 0 0 0 -2.0471 -2.7307 -3.2245 O 0 0 0 0 0 -1.1765 -2.9433 -0.8918 O 0 0 0 0 0 0.4651 1.1638 0.9285 O 0 0 0 0 0 0.3687 1.9581 2.1122 C 0 0 0 0 0 -0.9191 3.5839 -1.4087 C 0 0 0 0 0 -0.5110 1.5215 -2.5576 C 0 0 0 0 0 2.7823 -0.7580 -0.6392 N 0 0 0 0 0 2.2745 -1.1063 0.6905 C 0 0 0 0 0 2.1372 -2.6032 0.7990 C 0 0 0 0 0 1.5903 -3.1496 1.8965 O 0 0 0 0 0 2.5184 -3.3119 -0.1019 O 0 0 0 0 0 4.2265 -0.6795 -0.8737 C 0 0 0 0 0 4.7039 0.7232 -0.6007 C 0 0 0 0 0 5.1320 1.1733 0.5805 C 0 0 0 0 0 5.5227 2.5013 0.5919 C 0 0 0 0 0 5.4119 3.1294 -0.5794 C 0 0 0 0 0 4.7902 2.0158 -1.7904 S 0 0 0 0 0 -6.0388 0.5345 3.1079 H 0 0 0 0 0 -0.4199 3.6160 0.6689 H 0 0 0 0 0 -1.3236 3.2684 -3.4834 H 0 0 0 0 0 0.2346 -0.9126 -0.4017 H 0 0 0 0 0 0.0316 -1.1799 -3.3350 H 0 0 0 0 0 -2.7921 -1.8495 0.5387 H 0 0 0 0 0 -4.2755 -1.0102 2.4095 H 0 0 0 0 0 -4.8440 1.3952 -2.5835 H 0 0 0 0 0 -6.2228 2.1309 -0.7306 H 0 0 0 0 0 -0.6813 2.1387 2.3440 H 0 0 0 0 0 0.8389 1.4320 2.9421 H 0 0 0 0 0 0.8740 2.9108 1.9518 H 0 0 0 0 0 -1.2649 4.6070 -1.4191 H 0 0 0 0 0 -0.5383 0.9352 -3.4651 H 0 0 0 0 0 2.9701 -0.7496 1.4503 H 0 0 0 0 0 1.3006 -0.6399 0.8409 H 0 0 0 0 0 1.5235 -4.1136 1.9211 H 0 0 0 0 0 4.7409 -1.3745 -0.2109 H 0 0 0 0 0 4.4397 -0.9409 -1.9110 H 0 0 0 0 0 5.1704 0.5486 1.4606 H 0 0 0 0 0 5.8895 2.9912 1.4814 H 0 0 0 0 0 5.6687 4.1637 -0.7588 H 0 0 0 0 0 1 15 2 0 0 0 1 20 1 0 0 0 15 14 1 0 0 0 21 20 2 0 0 0 37 36 2 0 0 0 37 38 1 0 0 0 20 19 1 0 0 0 36 35 1 0 0 0 14 13 2 0 0 0 14 16 1 0 0 0 13 12 1 0 0 0 22 11 2 0 0 0 19 16 1 0 0 0 16 17 2 0 0 0 38 34 1 0 0 0 12 11 1 0 0 0 12 2 2 0 0 0 23 11 2 0 0 0 35 34 2 0 0 0 11 10 1 0 0 0 17 2 1 0 0 0 2 18 1 0 0 0 34 33 1 0 0 0 25 24 1 0 0 0 24 4 1 0 0 0 10 9 1 0 0 0 9 8 1 0 0 0 9 3 1 0 0 0 33 28 1 0 0 0 8 28 1 0 0 0 8 7 2 0 0 0 4 3 2 0 0 0 4 5 1 0 0 0 28 29 1 0 0 0 3 27 1 0 0 0 29 30 1 0 0 0 5 26 2 0 0 0 27 6 2 0 0 0 30 32 2 0 0 0 30 31 1 0 0 0 26 6 1 0 0 0 1 39 1 0 0 0 5 40 1 0 0 0 6 41 1 0 0 0 9 42 1 0 0 0 10 43 1 0 0 0 13 44 1 0 0 0 15 45 1 0 0 0 17 46 1 0 0 0 19 47 1 0 0 0 25 48 1 0 0 0 25 49 1 0 0 0 25 50 1 0 0 0 26 51 1 0 0 0 27 52 1 0 0 0 29 53 1 0 0 0 29 54 1 0 0 0 31 55 1 0 0 0 33 56 1 0 0 0 33 57 1 0 0 0 35 58 1 0 0 0 36 59 1 0 0 0 37 60 1 0 0 0 M END $$$$