RDKit 3D 55 58 0 0 0 0 0 0 0 0999 V2000 8.1381 2.2456 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 1.3697 0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3121 0.0145 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -0.7991 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 -0.2775 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8306 1.0868 -0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 1.9012 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0302 -1.1819 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.9728 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -0.2269 -1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 0.0043 -1.2863 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -0.4483 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -0.3520 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 -1.0515 1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -1.5565 1.8999 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 -1.1710 0.7769 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1164 -1.4326 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 -2.2100 1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 0.3386 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 1.2815 -0.7372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6531 -0.1919 0.5269 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 0.2473 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1242 -0.3296 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2877 0.3128 0.2639 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9742 1.3642 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 1.6290 -0.6627 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8624 2.2091 -1.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2185 1.7578 -1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1869 -1.5215 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -2.1173 1.9432 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4539 -1.9252 1.8419 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 0.2851 -2.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 3.1728 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 1.7332 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8641 2.5048 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2793 -0.4164 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -1.8486 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8765 1.5418 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6084 2.9573 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1137 -1.0713 -2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 -2.2309 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8237 -1.2107 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9371 -2.3964 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 -3.1882 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 -1.6657 2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -1.0394 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 2.8153 -1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6801 1.4194 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2511 0.9433 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8223 2.5842 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5981 -2.7376 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2425 -1.3896 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 -0.5606 -3.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 0.9265 -3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 0.8748 -2.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 13 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 23 29 1 0 29 30 2 0 29 31 1 0 10 32 1 0 7 2 1 0 17 9 2 0 16 12 1 0 26 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 14 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 21 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 28 50 1 0 31 51 1 0 31 52 1 0 32 53 1 0 32 54 1 0 32 55 1 0 M END