JEA Converted by convert_cif2sdf.py 2024/03/01 05:07:52 63 68 0 0 0 0 0 0 0 0999 V2000 -1.3414 -1.9492 -0.4936 C 0 0 0 0 0 -2.4984 -1.2110 0.0298 C 0 0 0 0 0 -2.2413 0.0279 0.7679 C 0 0 0 0 0 5.9257 0.8193 1.1445 O 0 0 0 0 0 -3.1529 0.6890 1.2295 O 0 0 0 0 0 6.3912 1.0599 -0.1947 C 0 0 0 0 0 5.1567 1.0423 -1.1191 C 0 0 0 0 0 7.3694 -0.0418 -0.6107 C 0 0 0 0 0 -0.6472 1.6411 1.6510 C 0 0 0 0 0 -3.6275 -1.9297 -0.3363 C 0 0 0 0 0 -5.0281 -1.5740 -0.0304 C 0 0 0 0 0 -5.6119 -0.4238 -0.5715 C 0 0 0 0 0 -6.9330 -0.1302 -0.2565 C 0 0 0 0 0 -7.1141 -2.0189 1.0651 C 0 0 0 0 0 -5.8112 -2.3843 0.8039 C 0 0 0 0 0 -8.9208 1.3278 -0.4599 C 0 0 0 0 0 -9.7005 2.1905 -1.4544 C 0 0 0 0 0 -9.2531 2.7817 -0.1170 C 0 0 0 0 0 4.5539 1.2707 1.2042 C 0 0 0 0 0 0.0713 -0.3331 0.4007 C 0 0 0 0 0 2.4386 -0.8216 0.9050 C 0 0 0 0 0 3.5680 -0.6331 -0.1146 C 0 0 0 0 0 3.9729 0.8336 -0.1562 C 0 0 0 0 0 2.8014 1.7234 -0.5458 C 0 0 0 0 0 1.6676 1.5498 0.4720 C 0 0 0 0 0 -0.9517 0.4088 0.9190 N 0 0 0 0 0 -0.0997 -1.4413 -0.2694 N 0 0 0 0 0 1.3552 0.1188 0.5875 N 0 0 0 0 0 5.2451 -0.0691 -2.0751 N 0 0 0 0 0 -3.2094 -3.0138 -1.0236 N 0 0 0 0 0 -1.8119 -3.0086 -1.1097 N 0 0 0 0 0 -7.6308 -0.9224 0.5420 N 0 0 0 0 0 -7.5287 1.0104 -0.7861 N 0 0 0 0 0 -4.7002 0.6192 -1.6186 CL 0 0 0 0 0 6.8833 2.0309 -0.2467 H 0 0 0 0 0 5.0612 1.9920 -1.6461 H 0 0 0 0 0 6.8730 -1.0101 -0.5477 H 0 0 0 0 0 7.6979 0.1326 -1.6352 H 0 0 0 0 0 8.2324 -0.0319 0.0547 H 0 0 0 0 0 -0.5940 2.4758 0.9512 H 0 0 0 0 0 -1.4313 1.8308 2.3848 H 0 0 0 0 0 0.3102 1.5332 2.1614 H 0 0 0 0 0 -7.7210 -2.6389 1.7076 H 0 0 0 0 0 -5.3978 -3.2833 1.2376 H 0 0 0 0 0 -9.4701 0.5490 0.0689 H 0 0 0 0 0 -9.1776 2.5211 -2.3519 H 0 0 0 0 0 -10.7628 1.9782 -1.5807 H 0 0 0 0 0 -10.0193 2.9583 0.6379 H 0 0 0 0 0 -8.4351 3.5023 -0.1334 H 0 0 0 0 0 4.0248 0.7837 2.0227 H 0 0 0 0 0 4.5114 2.3548 1.3090 H 0 0 0 0 0 2.0632 -1.8439 0.8501 H 0 0 0 0 0 2.8142 -0.6206 1.9082 H 0 0 0 0 0 4.4251 -1.2387 0.1764 H 0 0 0 0 0 3.2219 -0.9428 -1.1009 H 0 0 0 0 0 3.1247 2.7649 -0.5556 H 0 0 0 0 0 2.4466 1.4446 -1.5375 H 0 0 0 0 0 1.9841 1.9342 1.4415 H 0 0 0 0 0 0.7853 2.0909 0.1318 H 0 0 0 0 0 6.0567 0.0267 -2.6682 H 0 0 0 0 0 5.2501 -0.9580 -1.5975 H 0 0 0 0 0 -3.7890 -3.6946 -1.4005 H 0 0 0 0 0 -7.0222 1.5953 -1.3716 H 0 0 0 0 0 19 4 1 0 0 0 19 23 1 0 0 0 9 26 1 0 0 0 21 28 1 0 0 0 21 22 1 0 0 0 4 6 1 0 0 0 25 28 1 0 0 0 25 24 1 0 0 0 28 20 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 7 1 0 0 0 26 20 1 0 0 0 26 3 1 0 0 0 20 27 2 0 0 0 6 8 1 0 0 0 6 7 1 0 0 0 7 29 1 0 0 0 5 3 2 0 0 0 3 2 1 0 0 0 27 1 1 0 0 0 34 12 1 0 0 0 2 1 1 0 0 0 2 10 2 0 0 0 1 31 2 0 0 0 17 18 1 0 0 0 17 16 1 0 0 0 33 16 1 0 0 0 33 13 1 0 0 0 12 13 2 0 0 0 12 11 1 0 0 0 31 30 1 0 0 0 10 11 1 0 0 0 10 30 1 0 0 0 18 16 1 0 0 0 13 32 1 0 0 0 11 15 2 0 0 0 32 14 2 0 0 0 15 14 1 0 0 0 6 35 1 0 0 0 7 36 1 0 0 0 8 37 1 0 0 0 8 38 1 0 0 0 8 39 1 0 0 0 9 40 1 0 0 0 9 41 1 0 0 0 9 42 1 0 0 0 14 43 1 0 0 0 15 44 1 0 0 0 16 45 1 0 0 0 17 46 1 0 0 0 17 47 1 0 0 0 18 48 1 0 0 0 18 49 1 0 0 0 19 50 1 0 0 0 19 51 1 0 0 0 21 52 1 0 0 0 21 53 1 0 0 0 22 54 1 0 0 0 22 55 1 0 0 0 24 56 1 0 0 0 24 57 1 0 0 0 25 58 1 0 0 0 25 59 1 0 0 0 29 60 1 0 0 0 29 61 1 0 0 0 30 62 1 0 0 0 33 63 1 0 0 0 M END $$$$