HMDB0258642 RDKit 3D Swerchirin 33 35 0 0 0 0 0 0 0 0999 V2000 5.5913 -0.7237 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -1.3316 -0.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 -0.5688 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2547 0.7127 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 1.4994 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2662 2.7521 1.0747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 0.9265 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 1.5922 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 2.7455 1.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 0.9569 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 1.6391 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7617 2.8964 0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 0.9683 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 -0.3055 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 -0.9884 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -2.2880 -0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -3.0503 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 -0.3443 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3498 -0.9646 -0.3639 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 -0.3827 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -1.1160 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 0.2088 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 -1.3763 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 -0.3597 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2274 1.1367 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 3.4379 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1453 3.5721 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 1.4856 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7519 -0.8767 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -3.2318 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 -2.4736 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4097 -4.0166 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 -2.1315 -0.7367 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 1 0 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 3 1 0 20 7 1 0 18 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 6 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 17 30 1 0 17 31 1 0 17 32 1 0 21 33 1 0 M END