CHEMBL1088245 RDKit 3D 52 55 0 0 0 0 0 0 0 0999 V2000 31.4213 39.6791 309.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8575 40.3143 310.5926 S 0 0 0 0 0 0 0 0 0 0 0 0 33.8856 38.8967 310.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7857 37.6189 310.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8167 37.1372 311.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6749 37.6635 311.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1682 36.0889 312.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 33.2613 36.3307 314.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9007 36.5258 314.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9640 36.8320 316.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6918 35.7064 316.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0620 35.4375 316.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9099 35.1780 314.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7514 36.8436 310.2103 N 0 0 0 0 0 0 0 0 0 0 0 0 35.4685 37.5887 309.3826 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5694 37.0682 308.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3778 36.7127 307.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4311 36.1825 306.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6894 36.0157 307.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0093 35.3389 306.1735 Cl 0 0 0 0 0 0 0 0 0 0 0 0 38.8939 36.3715 308.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8401 36.8855 309.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1684 37.3527 310.8690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 34.9692 38.8464 309.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5635 39.9803 308.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9583 40.0645 308.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5309 41.1194 307.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7174 42.1023 307.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4381 43.4260 306.2676 Cl 0 0 0 0 0 0 0 0 0 0 0 0 35.3291 42.0345 307.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7511 40.9765 308.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0535 40.4575 308.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5960 39.4046 310.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 31.7293 38.7827 309.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4460 35.1615 312.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 31.2708 35.6236 314.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4129 37.3850 314.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9354 36.9368 316.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 32.5021 37.7934 316.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0756 34.7827 316.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8219 35.9833 317.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7235 36.3182 316.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5264 34.5526 316.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9198 35.0258 314.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3253 34.2438 314.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4001 36.8164 306.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 37.2675 35.9118 305.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 39.8704 36.2404 308.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6010 39.3082 308.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 38.6056 41.1680 307.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 34.6956 42.7895 306.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6729 40.9252 308.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 8 13 1 0 4 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 16 22 1 0 22 23 1 0 15 24 1 0 3 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 25 31 1 0 1 32 1 0 1 33 1 0 1 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 17 46 1 0 18 47 1 0 21 48 1 0 26 49 1 0 27 50 1 0 30 51 1 0 31 52 1 0 M END