RDKit 3D 45 45 0 0 0 0 0 0 0 0999 V2000 6.5176 0.3926 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 0.3439 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 0.6729 1.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 0.5987 1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 0.1863 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 -0.1790 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 -0.0933 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -0.6123 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 -1.1082 -2.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7457 0.1574 1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 0.2250 2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2131 0.0617 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6502 0.4075 0.3269 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8215 1.8999 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 -0.3552 -0.4250 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2984 0.4727 -1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 -0.9337 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5612 0.1021 1.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7737 -1.8561 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 1.1502 1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 -0.5820 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8254 0.6567 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 0.9890 2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 0.8657 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 -0.3641 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -1.4620 -3.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 -1.9587 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2312 -0.3113 -3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -0.9765 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.7616 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 0.0578 1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0973 2.2656 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 2.3671 -0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 2.1159 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2361 -1.2227 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 0.8480 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9477 -0.1378 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 1.3271 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 -1.5627 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9047 0.6413 2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 -0.3855 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0688 0.8268 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4007 -2.3885 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -2.6086 -0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 -1.2953 -0.8196 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 6 8 1 0 8 9 1 0 5 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 7 2 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 7 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 6 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 M CHG 1 13 1 M END