JAI Converted by convert_cif2sdf.py 2024/03/29 11:09:15 52 52 0 0 0 0 0 0 0 0999 V2000 -3.9087 2.0024 0.0533 C 0 0 0 0 0 -1.9363 0.6130 0.3142 N 0 0 0 0 0 -3.3690 2.7439 0.8409 O 0 0 0 0 0 -5.1116 2.3192 -0.4487 O 0 0 0 0 0 4.7817 3.2213 0.6429 O 0 0 0 0 0 -3.2263 0.7276 -0.3699 C 0 0 0 0 0 -4.1070 -0.4679 0.0000 C 0 0 0 0 0 5.3851 -3.1013 -0.5355 C 0 0 0 0 0 4.5080 -2.0561 0.1554 C 0 0 0 0 0 5.3611 -0.8929 0.5917 C 0 0 0 0 0 5.0290 0.3279 0.2506 C 0 0 0 0 0 3.7093 0.5873 -0.4284 C 0 0 0 0 0 2.9397 1.6605 0.3448 C 0 0 0 0 0 3.6642 2.9865 0.2496 C 0 0 0 0 0 2.7258 3.9667 -0.4322 C 0 0 0 0 0 1.3114 3.3939 -0.1683 C 0 0 0 0 0 1.5465 1.8657 -0.2845 C 0 0 0 0 0 0.4829 1.0971 0.5030 C 0 0 0 0 0 -0.8447 1.2149 -0.2007 C 0 0 0 0 0 -0.9317 1.8508 -1.2302 O 0 0 0 0 0 -6.2294 -1.6738 -0.5326 C 0 0 0 0 0 -5.4046 -0.4152 -0.8084 C 0 0 0 0 0 -4.4338 -0.4177 1.4938 C 0 0 0 0 0 -1.8663 0.1046 1.1376 H 0 0 0 0 0 -5.5101 3.1473 -0.1477 H 0 0 0 0 0 -3.0669 0.7413 -1.4473 H 0 0 0 0 0 -3.5764 -1.3938 -0.2245 H 0 0 0 0 0 5.8643 -2.6557 -1.4067 H 0 0 0 0 0 6.1487 -3.4514 0.1595 H 0 0 0 0 0 4.7687 -3.9425 -0.8510 H 0 0 0 0 0 3.7444 -1.7060 -0.5396 H 0 0 0 0 0 4.0288 -2.5016 1.0266 H 0 0 0 0 0 6.2477 -1.0657 1.1849 H 0 0 0 0 0 5.7003 1.1472 0.4566 H 0 0 0 0 0 3.8864 0.9301 -1.4477 H 0 0 0 0 0 3.1253 -0.3330 -0.4517 H 0 0 0 0 0 2.8381 1.3655 1.3891 H 0 0 0 0 0 2.8243 4.9575 0.0102 H 0 0 0 0 0 2.9290 4.0065 -1.5023 H 0 0 0 0 0 0.9662 3.6578 0.8318 H 0 0 0 0 0 0.6058 3.7393 -0.9234 H 0 0 0 0 0 1.5485 1.5571 -1.3292 H 0 0 0 0 0 0.7670 0.0470 0.5682 H 0 0 0 0 0 0.4001 1.5151 1.5063 H 0 0 0 0 0 -5.6559 -2.5553 -0.8226 H 0 0 0 0 0 -6.4654 -1.7276 0.5307 H 0 0 0 0 0 -7.1539 -1.6365 -1.1079 H 0 0 0 0 0 -5.9781 0.4654 -0.5184 H 0 0 0 0 0 -5.1686 -0.3613 -1.8717 H 0 0 0 0 0 -5.0610 -1.2702 1.7571 H 0 0 0 0 0 -3.5093 -0.4560 2.0700 H 0 0 0 0 0 -4.9653 0.5072 1.7183 H 0 0 0 0 0 3 1 2 0 0 0 1 4 1 0 0 0 1 6 1 0 0 0 6 2 1 0 0 0 19 2 1 0 0 0 2 24 1 0 0 0 4 25 1 0 0 0 14 5 2 0 0 0 6 7 1 0 0 0 6 26 1 0 0 0 23 7 1 0 0 0 7 22 1 0 0 0 7 27 1 0 0 0 8 9 1 0 0 0 8 28 1 0 0 0 8 29 1 0 0 0 8 30 1 0 0 0 9 10 1 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 2 0 0 0 10 33 1 0 0 0 12 11 1 0 0 0 11 34 1 0 0 0 12 13 1 0 0 0 12 35 1 0 0 0 12 36 1 0 0 0 17 13 1 0 0 0 13 14 1 0 0 0 13 37 1 0 0 0 14 15 1 0 0 0 16 15 1 0 0 0 15 38 1 0 0 0 15 39 1 0 0 0 17 16 1 0 0 0 16 40 1 0 0 0 16 41 1 0 0 0 17 18 1 0 0 0 17 42 1 0 0 0 19 18 1 0 0 0 18 43 1 0 0 0 18 44 1 0 0 0 20 19 2 0 0 0 21 22 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 22 49 1 0 0 0 23 50 1 0 0 0 23 51 1 0 0 0 23 52 1 0 0 0 M END $$$$