RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 8.0993 -1.3957 2.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -2.3085 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -1.5513 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 -1.0894 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7902 -1.1328 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 -0.6194 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -0.0597 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 -0.0255 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 -0.5244 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9618 0.6880 -2.4533 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 0.8587 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 0.4731 -0.2142 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 1.3870 -1.9339 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 1.5239 -1.1082 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6527 2.3914 -1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 2.5215 -3.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 1.8184 -3.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 1.6897 -4.2141 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 3.0846 -4.2614 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7971 3.1293 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 4.3160 -1.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5765 2.4423 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 2.8562 1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0981 2.1826 2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9395 1.1124 1.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 0.7165 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 1.4020 -0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -0.3168 -0.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2669 -1.2715 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 0.1531 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 -0.6866 -1.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 -1.9342 -1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -2.3771 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 -1.5611 0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 -0.3085 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -1.9651 2.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8614 -0.7799 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5722 -1.9863 2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3831 -0.7022 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1827 -2.9766 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -2.9652 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1221 -1.5492 2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -0.6546 2.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -0.4833 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4933 2.0641 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 3.6894 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 2.4802 3.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4509 0.6069 2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5793 1.1086 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3903 -1.6196 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0286 -0.8637 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7034 -2.1354 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 -0.3596 -2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 -2.5544 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -3.3468 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 0.3076 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 -2.8990 2.2052 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 19 1 0 15 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 14 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 34 36 1 0 9 4 1 0 12 7 1 0 17 13 1 0 27 22 1 0 35 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 5 42 1 0 6 43 1 0 9 44 1 0 14 45 1 1 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 29 50 1 0 29 51 1 0 29 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 35 56 1 0 36 57 1 0 M CHG 1 19 -1 M END