RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -1.4161 -3.3384 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 -2.6856 1.6481 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -1.8857 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 -1.6890 0.7594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -1.2692 -0.2604 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9731 0.1276 -0.6028 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0423 1.0266 -0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 0.3350 0.5018 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8742 -1.0647 0.2325 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7286 2.3333 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 3.2930 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 4.4462 0.8858 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 4.2289 0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 2.9173 -0.1904 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7684 3.0929 1.3379 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 0.3036 -2.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 -0.4513 -2.5629 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 0.4532 -1.4735 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4106 0.8996 -2.1343 N 0 0 0 0 0 4 0 0 0 0 0 0 3.4200 0.4437 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 0.5900 -1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -0.0462 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1945 -0.8539 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 -1.0338 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 -0.3633 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 -0.3429 -0.3202 N 0 0 0 0 0 4 0 0 0 0 0 0 6.1694 -1.5245 1.1363 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7193 -2.1734 2.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3619 -1.3859 0.8551 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0531 -4.0347 3.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 -3.9043 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0114 -2.5994 3.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 -1.9492 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 0.3742 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 0.6466 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -1.6533 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1283 3.8292 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 2.1706 1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 -0.1443 -2.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 1.3589 -2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 1.3582 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 1.4636 -2.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 1.1764 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 0.0337 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 -1.6322 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0796 -0.8772 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 11 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 23 27 1 0 27 28 2 0 27 29 1 0 9 5 1 0 14 10 2 0 26 18 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 6 6 34 1 1 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 1 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 M CHG 4 19 1 26 1 27 1 29 -1 M END