JI4 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 57 59 0 0 0 0 0 0 0 0999 V2000 -1.1466 1.6002 0.7815 C 0 0 0 0 0 0.1814 1.1571 0.3367 N 0 0 0 0 0 -2.2169 0.6856 0.1835 C 0 0 0 0 0 -3.5449 1.1287 0.6283 N 0 0 0 0 0 -4.6001 0.2721 0.0714 C 0 0 0 0 0 -5.9655 0.7640 0.5570 C 0 0 0 0 0 2.7106 3.7163 0.0693 N 0 0 0 0 0 -7.0476 -0.1158 -0.0140 C 0 0 0 0 0 -7.4635 -1.2373 0.6782 C 0 0 0 0 0 -8.4581 -2.0449 0.1526 C 0 0 0 0 0 -8.8659 -3.1405 0.8293 F 0 0 0 0 0 -9.0351 -1.7269 -1.0652 C 0 0 0 0 0 -8.6181 -0.6053 -1.7554 C 0 0 0 0 0 -7.6285 0.2029 -1.2277 C 0 0 0 0 0 4.8218 0.0996 -0.8176 N 0 0 0 0 0 1.2679 3.3726 0.1591 C 0 0 0 0 0 3.8349 -0.5779 -0.2618 C 0 0 0 0 0 1.2366 2.0147 0.8936 C 0 0 0 0 0 4.0279 -1.8682 0.1886 C 0 0 0 0 0 2.6244 1.3901 0.6396 C 0 0 0 0 0 5.2780 -2.4568 0.0517 C 0 0 0 0 0 3.3769 2.4220 -0.2272 C 0 0 0 0 0 6.2930 -1.7227 -0.5362 C 0 0 0 0 0 6.0278 -0.4263 -0.9663 C 0 0 0 0 0 7.0379 0.3227 -1.5588 N 0 0 0 0 0 2.4814 0.0664 -0.1160 C 0 0 0 0 0 5.5245 -3.8639 0.5325 C 0 0 0 0 0 -1.1983 1.5561 1.8697 H 0 0 0 0 0 -1.3177 2.6252 0.4515 H 0 0 0 0 0 0.3387 0.1897 0.5743 H 0 0 0 0 0 -2.1651 0.7297 -0.9047 H 0 0 0 0 0 -2.0458 -0.3384 0.5135 H 0 0 0 0 0 -3.5973 1.1587 1.6353 H 0 0 0 0 0 -4.5642 0.3133 -1.0166 H 0 0 0 0 0 -4.4449 -0.7549 0.4017 H 0 0 0 0 0 -6.0003 0.7219 1.6460 H 0 0 0 0 0 -6.1197 1.7911 0.2268 H 0 0 0 0 0 2.8767 4.3869 -0.6667 H 0 0 0 0 0 -7.0120 -1.4841 1.6276 H 0 0 0 0 0 -9.8113 -2.3568 -1.4750 H 0 0 0 0 0 -9.0677 -0.3574 -2.7057 H 0 0 0 0 0 -7.3027 1.0797 -1.7682 H 0 0 0 0 0 0.7314 4.1277 0.7338 H 0 0 0 0 0 0.8376 3.2751 -0.8378 H 0 0 0 0 0 1.0776 2.1651 1.9611 H 0 0 0 0 0 3.2149 -2.4145 0.6437 H 0 0 0 0 0 3.1475 1.2340 1.5829 H 0 0 0 0 0 3.2764 2.1765 -1.2839 H 0 0 0 0 0 4.4286 2.4623 0.0572 H 0 0 0 0 0 7.2770 -2.1494 -0.6580 H 0 0 0 0 0 6.8585 1.2263 -1.8606 H 0 0 0 0 0 7.9231 -0.0591 -1.6700 H 0 0 0 0 0 2.0599 0.2548 -1.1032 H 0 0 0 0 0 1.8204 -0.5985 0.4399 H 0 0 0 0 0 5.3120 -4.5652 -0.2741 H 0 0 0 0 0 6.5652 -3.9660 0.8387 H 0 0 0 0 0 4.8734 -4.0764 1.3801 H 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 2 18 1 0 0 0 2 30 1 0 0 0 4 3 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 5 4 1 0 0 0 4 33 1 0 0 0 6 5 1 0 0 0 5 34 1 0 0 0 5 35 1 0 0 0 8 6 1 0 0 0 6 36 1 0 0 0 6 37 1 0 0 0 16 7 1 0 0 0 7 22 1 0 0 0 7 38 1 0 0 0 9 8 2 0 0 0 14 8 1 0 0 0 10 9 1 0 0 0 9 39 1 0 0 0 11 10 1 0 0 0 12 10 2 0 0 0 12 13 1 0 0 0 12 40 1 0 0 0 13 14 2 0 0 0 13 41 1 0 0 0 14 42 1 0 0 0 15 17 2 0 0 0 15 24 1 0 0 0 16 18 1 0 0 0 16 43 1 0 0 0 16 44 1 0 0 0 26 17 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 45 1 0 0 0 19 21 2 0 0 0 19 46 1 0 0 0 26 20 1 0 0 0 20 22 1 0 0 0 20 47 1 0 0 0 23 21 1 0 0 0 21 27 1 0 0 0 22 48 1 0 0 0 22 49 1 0 0 0 24 23 2 0 0 0 23 50 1 0 0 0 25 24 1 0 0 0 25 51 1 0 0 0 25 52 1 0 0 0 26 53 1 0 0 0 26 54 1 0 0 0 27 55 1 0 0 0 27 56 1 0 0 0 27 57 1 0 0 0 M END $$$$