RDKit 3D 44 46 0 0 0 0 0 0 0 0999 V2000 -4.7246 -0.9071 1.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 -1.2430 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.5078 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 -2.3612 1.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 -0.1380 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6138 -0.3971 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 0.7018 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9451 1.9904 -0.0916 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 2.6849 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 4.0327 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 4.5300 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 3.6330 -1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 2.2703 -1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 1.8080 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 0.5433 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -0.7616 -1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 -1.4879 0.0344 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3242 -2.7676 -0.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -1.7559 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4421 -2.1564 1.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -1.2506 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1396 -0.4753 2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4445 -0.1598 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 -1.8269 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4741 -1.9995 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7642 -0.5066 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9586 -2.1290 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 -2.5195 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 0.9058 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.4150 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 2.4375 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 4.7239 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8426 5.5848 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 4.0313 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0597 1.5756 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 -1.3655 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 -0.5937 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 -1.6371 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 -1.8352 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 -3.2557 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -1.5976 2.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -1.3595 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -1.8549 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 -0.1883 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 15 14 1 0 14 13 2 0 13 12 1 0 12 11 2 0 11 10 1 0 10 9 2 0 9 8 1 0 8 7 1 0 19 17 1 0 9 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 16 36 1 0 16 37 1 0 17 38 1 1 20 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 21 44 1 0 13 35 1 0 12 34 1 0 11 33 1 0 10 32 1 0 8 31 1 0 M END