RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -5.6108 1.7974 -3.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5657 2.2008 -2.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 1.0339 -2.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6155 0.5092 -1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6421 0.9512 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 -0.6848 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 -1.1347 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 -2.4039 0.7352 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1644 -2.5896 -0.4757 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9515 -1.6757 -1.8480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 -2.0045 -0.2878 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -2.5818 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -3.4672 1.3657 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 -1.9740 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.0229 -1.1296 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -0.7448 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 -0.3946 0.1728 N 0 0 0 0 0 2 0 0 0 0 0 0 4.7353 0.6222 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 0.9120 -1.4703 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 0.0262 -1.9974 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 1.3722 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 0.9919 2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 1.6543 3.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 2.6950 2.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 3.0750 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 2.4138 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -3.5641 0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -4.4657 0.9674 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6029 -0.5216 1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 1.2353 -3.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0335 2.6782 -4.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1709 1.1446 -4.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9886 2.8604 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 2.7560 -3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 -2.3002 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -3.6406 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 -1.5020 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 -2.5452 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3457 -0.9485 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 0.1808 2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5776 1.3555 4.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 3.2094 3.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9796 3.8832 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 2.7031 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9175 -0.4688 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9448 0.4989 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 -1.1255 1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 8 27 1 0 27 28 3 0 7 29 1 0 10 6 1 0 20 16 2 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 8 35 1 1 9 36 1 6 11 37 1 0 14 38 1 0 14 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 29 45 1 0 29 46 1 0 29 47 1 0 M CHG 1 17 -1 M END