J3A Converted by convert_cif2sdf.py 2024/03/29 11:09:15 53 56 0 0 0 0 0 0 0 0999 V2000 4.3598 -2.2523 0.3660 C 0 0 0 0 0 -5.4236 -1.5132 -1.0050 C 0 0 0 0 0 5.2107 -3.3330 0.4683 C 0 0 0 0 0 4.7264 -4.6181 0.2987 C 0 0 0 0 0 -1.8578 1.7033 -0.2688 C 0 0 0 0 0 2.0893 -1.3083 -0.0150 C 0 0 0 0 0 0.7881 -1.5085 -0.2803 C 0 0 0 0 0 -0.1485 -0.3727 -0.2763 C 0 0 0 0 0 -2.3206 0.3997 -0.4330 C 0 0 0 0 0 -0.4886 1.9078 -0.1142 C 0 0 0 0 0 -3.9316 -1.2882 -0.7493 C 0 0 0 0 0 -1.4473 -0.6027 -0.4315 N 0 0 0 0 0 0.3281 0.8586 -0.1286 N 0 0 0 0 0 3.0057 -2.4574 0.0907 C 0 0 0 0 0 -3.6747 0.1509 -0.5951 N 0 0 0 0 0 3.3861 -4.8285 0.0257 C 0 0 0 0 0 2.5252 -3.7576 -0.0858 C 0 0 0 0 0 -6.1986 -0.9611 0.1149 N 0 0 0 0 0 -5.9428 0.4781 0.2700 C 0 0 0 0 0 -4.4498 0.7031 0.5247 C 0 0 0 0 0 -5.9114 -1.6832 1.3613 C 0 0 0 0 0 0.0158 3.1895 0.0508 N 0 0 0 0 0 1.4003 3.3982 0.0846 C 0 0 0 0 0 2.0029 4.5615 0.1446 N 0 0 0 0 0 3.3863 4.3371 0.1607 N 0 0 0 0 0 3.5942 3.0051 0.1074 C 0 0 0 0 0 2.3861 2.3973 0.0660 C 0 0 0 0 0 4.9336 2.3155 0.1052 C 0 0 0 0 0 4.7395 -1.2500 0.5037 H 0 0 0 0 0 -5.7144 -1.0132 -1.9288 H 0 0 0 0 0 -5.6205 -2.5814 -1.0912 H 0 0 0 0 0 6.2578 -3.1763 0.6814 H 0 0 0 0 0 5.3968 -5.4608 0.3801 H 0 0 0 0 0 -2.5449 2.5376 -0.2654 H 0 0 0 0 0 2.4641 -0.3039 0.1206 H 0 0 0 0 0 0.4280 -2.5044 -0.4957 H 0 0 0 0 0 -3.6350 -1.8104 0.1607 H 0 0 0 0 0 -3.3569 -1.6711 -1.5921 H 0 0 0 0 0 3.0153 -5.8339 -0.1058 H 0 0 0 0 0 1.4789 -3.9233 -0.2988 H 0 0 0 0 0 -6.2394 1.0003 -0.6399 H 0 0 0 0 0 -6.5186 0.8610 1.1128 H 0 0 0 0 0 -4.1600 0.2040 1.4495 H 0 0 0 0 0 -4.2528 1.7722 0.6109 H 0 0 0 0 0 -4.8502 -1.5979 1.5948 H 0 0 0 0 0 -6.4976 -1.2551 2.1738 H 0 0 0 0 0 -6.1724 -2.7351 1.2399 H 0 0 0 0 0 -0.5907 3.9412 0.1438 H 0 0 0 0 0 2.2106 1.3328 0.0191 H 0 0 0 0 0 5.2741 2.1863 -0.9226 H 0 0 0 0 0 5.6555 2.9213 0.6531 H 0 0 0 0 0 4.8408 1.3396 0.5826 H 0 0 0 0 0 4.0738 5.0203 0.2018 H 0 0 0 0 0 3 4 2 0 0 0 3 1 1 0 0 0 4 16 1 0 0 0 1 14 2 0 0 0 16 17 2 0 0 0 14 17 1 0 0 0 14 6 1 0 0 0 28 26 1 0 0 0 6 7 2 0 0 0 26 27 2 0 0 0 26 25 1 0 0 0 27 23 1 0 0 0 7 8 1 0 0 0 25 24 1 0 0 0 13 8 2 0 0 0 13 10 1 0 0 0 23 24 2 0 0 0 23 22 1 0 0 0 8 12 1 0 0 0 22 10 1 0 0 0 10 5 2 0 0 0 12 9 2 0 0 0 5 9 1 0 0 0 9 15 1 0 0 0 20 15 1 0 0 0 20 19 1 0 0 0 15 11 1 0 0 0 19 18 1 0 0 0 11 2 1 0 0 0 18 2 1 0 0 0 18 21 1 0 0 0 1 29 1 0 0 0 2 30 1 0 0 0 2 31 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 5 34 1 0 0 0 6 35 1 0 0 0 7 36 1 0 0 0 11 37 1 0 0 0 11 38 1 0 0 0 16 39 1 0 0 0 17 40 1 0 0 0 19 41 1 0 0 0 19 42 1 0 0 0 20 43 1 0 0 0 20 44 1 0 0 0 21 45 1 0 0 0 21 46 1 0 0 0 21 47 1 0 0 0 22 48 1 0 0 0 27 49 1 0 0 0 28 50 1 0 0 0 28 51 1 0 0 0 28 52 1 0 0 0 25 53 1 0 0 0 M END $$$$