JQ1 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 57 60 0 0 0 0 0 0 0 0999 V2000 4.9043 -3.6109 -0.1749 C 0 0 0 0 0 2.7520 0.2207 -4.0909 C 0 0 0 0 0 1.2864 1.5358 -1.8531 C 0 0 0 0 0 -3.7235 0.3494 -0.4452 C 0 0 0 0 0 -4.6701 -1.8176 0.3640 C 0 0 0 0 0 -4.7290 -1.2598 -2.0712 C 0 0 0 0 0 -2.1235 -1.2044 1.1243 O 0 0 0 0 0 1.6812 5.8015 1.8931 CL 0 0 0 0 0 2.6543 3.4107 1.0780 C 0 0 0 0 0 0.3491 3.4491 1.7489 C 0 0 0 0 0 2.5572 2.0627 0.8036 C 0 0 0 0 0 0.2410 2.1012 1.4775 C 0 0 0 0 0 -0.4231 -2.3724 -0.0159 C 0 0 0 0 0 0.5777 -0.7843 1.5488 N 0 0 0 0 0 3.3145 -4.3166 1.6266 N 0 0 0 0 0 2.0317 -3.9381 2.0548 N 0 0 0 0 0 -2.6234 -1.7626 -0.9550 O 0 0 0 0 0 3.2056 -1.9541 -2.2374 S 0 0 0 0 0 -1.7863 -1.7371 0.0934 C 0 0 0 0 0 1.2380 -0.0500 0.7090 C 0 0 0 0 0 1.5523 4.1045 1.5498 C 0 0 0 0 0 3.6167 -3.5573 0.6069 C 0 0 0 0 0 1.3474 1.3976 1.0027 C 0 0 0 0 0 2.5793 -0.3883 -2.7236 C 0 0 0 0 0 1.9347 0.1823 -1.7197 C 0 0 0 0 0 1.6349 -2.9452 1.2430 C 0 0 0 0 0 1.8896 -0.5510 -0.5195 C 0 0 0 0 0 2.5266 -1.7734 -0.6259 C 0 0 0 0 0 0.3241 -2.2051 1.3085 C 0 0 0 0 0 2.5953 -2.7240 0.3708 N 0 3 0 0 0 -3.9192 -1.1308 -0.7786 C 0 0 0 0 0 4.7985 -4.3138 -1.0014 H 0 0 0 0 0 5.1321 -2.6191 -0.5685 H 0 0 0 0 0 5.7127 -3.9360 0.4789 H 0 0 0 0 0 3.3219 -0.4606 -4.7228 H 0 0 0 0 0 1.7724 0.3966 -4.5362 H 0 0 0 0 0 3.2854 1.1673 -4.0029 H 0 0 0 0 0 0.2295 1.4113 -2.0884 H 0 0 0 0 0 1.3873 2.0813 -0.9146 H 0 0 0 0 0 1.7729 2.0948 -2.6519 H 0 0 0 0 0 -3.1466 0.4406 0.4750 H 0 0 0 0 0 -3.1893 0.8378 -1.2590 H 0 0 0 0 0 -4.6966 0.8238 -0.3128 H 0 0 0 0 0 -5.6422 -1.3432 0.4963 H 0 0 0 0 0 -4.8091 -2.8719 0.1262 H 0 0 0 0 0 -4.0931 -1.7253 1.2843 H 0 0 0 0 0 -4.1947 -0.7703 -2.8848 H 0 0 0 0 0 -4.8680 -2.3141 -2.3090 H 0 0 0 0 0 -5.7021 -0.7853 -1.9388 H 0 0 0 0 0 3.5916 3.9252 0.9292 H 0 0 0 0 0 -0.5080 3.9955 2.1160 H 0 0 0 0 0 3.4177 1.5224 0.4357 H 0 0 0 0 0 -0.6980 1.5915 1.6333 H 0 0 0 0 0 -0.5344 -3.4336 -0.2385 H 0 0 0 0 0 0.1399 -1.8899 -0.8144 H 0 0 0 0 0 1.5307 -4.3184 2.7938 H 0 0 0 0 0 -0.2801 -2.6081 2.1208 H 0 0 0 0 0 1 22 1 0 0 0 2 24 1 0 0 0 3 25 1 0 0 0 4 31 1 0 0 0 5 31 1 0 0 0 6 31 1 0 0 0 7 19 2 0 0 0 8 21 1 0 0 0 9 11 2 0 0 0 9 21 1 0 0 0 10 12 1 0 0 0 10 21 2 0 0 0 11 23 1 0 0 0 12 23 2 0 0 0 13 19 1 0 0 0 13 29 1 0 0 0 14 20 2 0 0 0 14 29 1 0 0 0 15 16 1 0 0 0 15 22 2 0 0 0 16 26 1 0 0 0 17 19 1 0 0 0 17 31 1 0 0 0 18 24 1 0 0 0 18 28 1 0 0 0 20 23 1 0 0 0 20 27 1 0 0 0 22 30 1 0 0 0 24 25 2 0 0 0 25 27 1 0 0 0 26 29 1 0 0 0 26 30 2 0 0 0 27 28 2 0 0 0 28 30 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 2 35 1 0 0 0 2 36 1 0 0 0 2 37 1 0 0 0 3 38 1 0 0 0 3 39 1 0 0 0 3 40 1 0 0 0 4 41 1 0 0 0 4 42 1 0 0 0 4 43 1 0 0 0 5 44 1 0 0 0 5 45 1 0 0 0 5 46 1 0 0 0 6 47 1 0 0 0 6 48 1 0 0 0 6 49 1 0 0 0 9 50 1 0 0 0 10 51 1 0 0 0 11 52 1 0 0 0 12 53 1 0 0 0 13 54 1 0 0 0 13 55 1 0 0 0 16 56 1 0 0 0 29 57 1 0 0 0 M END $$$$