RDKit 3D 54 56 0 0 0 0 0 0 0 0999 V2000 -0.3380 -1.9078 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 -0.6266 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 0.6657 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 1.7777 -0.2541 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 0.4848 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 -0.7112 -0.2419 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7898 0.7097 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3721 1.9820 -0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7536 2.1357 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 1.0187 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 -0.2679 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6395 -0.4085 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 -1.3170 -0.9053 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3711 -2.6335 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9459 1.0746 -1.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 2.3567 -1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 1.1746 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 2.2248 -0.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 0.3934 0.9328 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 0.8991 1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 -0.2145 1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -1.0048 2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4176 -2.0507 2.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -2.3002 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3383 -1.5390 0.7229 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4977 -0.5171 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7225 0.0863 -0.7188 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5758 0.1606 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4896 1.3367 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 -2.7219 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 -2.1733 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 -1.8388 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 2.8866 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 3.1453 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -1.3962 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6791 -2.7949 -1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 -3.3326 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8930 -2.8499 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 2.9245 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1813 2.9113 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6272 2.2106 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7905 -0.2799 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 1.6953 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 1.3720 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 -0.7991 3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -2.6581 3.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0719 -3.0952 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9969 -1.7142 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9443 0.2145 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 -0.7326 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 1.0501 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7786 1.6669 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9145 2.1408 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4134 1.1863 -0.0601 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 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 10 15 1 0 15 16 1 0 3 17 1 0 17 18 2 0 17 19 1 0 19 20 1 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 26 27 1 0 27 28 1 0 27 29 1 0 6 2 1 0 12 7 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 8 33 1 0 9 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 16 39 1 0 16 40 1 0 16 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 28 49 1 0 28 50 1 0 28 51 1 0 29 52 1 0 29 53 1 0 29 54 1 0 M CHG 1 25 1 M END