RDKit 3D 41 44 0 0 0 0 0 0 0 0999 V2000 8.8863 1.4328 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4605 1.3371 0.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 1.0554 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4823 1.0589 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 1.3497 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 1.5134 1.9947 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 0.7971 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 0.8346 -0.4571 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 0.5575 -1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 0.3287 -2.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 0.4475 -2.5507 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 0.5427 -1.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 0.9981 -0.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 -0.0594 -2.2207 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 -0.3470 -1.8653 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8631 -1.6530 -2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 -2.4303 -2.7595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 -1.9714 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 -3.1190 -1.3917 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8463 -2.9601 -0.5778 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8006 -1.7285 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -1.0349 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7019 -1.0389 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8046 -1.7241 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6793 -1.0915 2.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4675 0.2378 2.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3795 0.9320 2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5011 0.2981 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0866 1.9445 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2954 0.4188 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 2.0017 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 0.8798 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 1.4431 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 0.1130 -3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3481 -0.7400 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7977 0.2129 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9885 -2.7628 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5267 -1.6368 2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1490 0.7309 3.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2102 1.9685 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 0.8632 0.7883 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 4 5 1 0 5 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 9 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 6 2 1 0 11 7 1 0 22 18 1 0 28 23 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 5 33 1 0 10 34 1 0 14 35 1 0 15 36 1 0 24 37 1 0 25 38 1 0 26 39 1 0 27 40 1 0 28 41 1 0 M END