RDKit 3D 28 29 0 0 0 0 0 0 0 0999 V2000 0.4688 0.6427 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 0.8075 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -0.3105 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 -1.5870 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 -1.7338 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -0.6291 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 -0.8800 -1.8941 N 0 0 0 0 0 2 0 0 0 0 0 0 -2.0694 0.1150 -2.3327 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 1.5049 -2.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0797 -0.4633 -3.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0222 0.2979 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 1.3924 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 1.0117 0.9192 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4519 -0.2486 0.7959 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 -0.6820 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -0.1051 2.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 -1.3623 2.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 1.1186 2.8014 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 0.1785 1.0732 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.5409 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 1.8093 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3096 -2.4697 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 -2.7389 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6861 2.3718 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 1.5589 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -1.6860 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 1.1180 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -0.5718 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 3 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 6 1 1 0 15 11 1 0 1 20 1 0 2 21 1 0 4 22 1 0 5 23 1 0 12 24 1 0 13 25 1 0 15 26 1 0 19 27 1 0 19 28 1 0 M CHG 1 7 -1 M END