RDKit 3D 48 52 0 0 0 0 0 0 0 0999 V2000 4.5422 0.8647 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 0.5814 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9851 -0.4727 1.0164 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7973 -1.7606 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -2.0425 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 -0.8253 -0.5499 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8135 -0.9853 -0.1810 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5989 -1.9279 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 -1.9655 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 -0.5565 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 0.2676 0.5143 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2603 1.5240 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 -0.6074 1.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 -0.6489 2.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -1.2912 1.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 0.4405 -0.2585 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2856 1.2024 0.4573 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1452 2.5768 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1476 3.5775 0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 2.8528 -1.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 0.4192 0.2009 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6261 -0.0167 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 1.2189 -0.4547 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9659 1.2169 -1.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 1.6354 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 0.3377 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 -0.5195 1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -1.7668 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 -2.5868 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -2.5896 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 -2.7450 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 -0.6169 -1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 -2.9448 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 -1.6501 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 -2.6551 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 -2.2824 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 -0.5744 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 -0.1540 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 1.8369 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 2.3713 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 1.4034 1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5111 0.7615 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 1.2493 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 3.6777 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.8265 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 -0.8830 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 2.2470 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5082 1.9794 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 5 4 1 0 4 3 1 0 3 22 1 0 21 22 1 1 21 23 1 0 23 24 1 0 23 2 1 0 2 1 2 3 21 17 1 0 17 18 1 0 18 20 1 0 18 19 2 0 17 16 1 0 16 11 1 0 11 12 1 1 11 10 1 0 10 9 1 0 9 8 1 0 8 7 1 0 7 15 1 1 15 13 1 0 13 14 2 0 21 6 1 0 7 16 1 0 7 6 1 0 2 3 1 0 13 11 1 0 6 32 1 6 5 30 1 0 5 31 1 0 4 28 1 0 4 29 1 0 3 27 1 1 22 45 1 0 22 46 1 0 23 47 1 1 24 48 1 0 1 25 1 0 1 26 1 0 17 43 1 1 20 44 1 0 16 42 1 6 12 39 1 0 12 40 1 0 12 41 1 0 10 37 1 0 10 38 1 0 9 35 1 0 9 36 1 0 8 33 1 0 8 34 1 0 M END