RDKit 3D 53 52 0 0 0 0 0 0 0 0999 V2000 8.1359 1.4173 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 0.2634 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6332 -0.8660 -0.1857 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7683 0.5028 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9513 -0.7582 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 -0.3833 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 -0.6489 -1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -1.3010 -2.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 -0.3346 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 0.3073 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 0.6662 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 0.1608 1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 -0.7965 2.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 0.5641 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6112 -0.6901 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0858 -0.5487 0.8062 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5400 -0.0125 1.9983 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6732 0.1005 -0.3954 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4833 1.6129 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1851 -0.4919 -1.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -0.1606 -0.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6615 2.3762 -0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0255 1.3148 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 1.4658 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 1.1454 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 1.0909 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -1.3281 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 -1.3916 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 0.0911 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 -0.6774 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -2.3206 -2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -1.3538 -3.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 0.4107 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -1.2838 -1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 1.2053 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 -0.4028 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 1.3546 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -0.8904 2.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -0.4710 2.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 -1.8191 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0852 1.1029 1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 1.2874 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3643 -1.4564 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -1.1740 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5695 -1.6037 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 0.7807 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7832 1.8848 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4737 2.0595 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1737 2.0213 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9259 -0.2523 -2.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0589 -1.5788 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 -0.0574 -2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3858 -0.1333 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 18 21 1 1 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 1 17 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 M END