RDKit 3D 40 42 0 0 0 0 0 0 0 0999 V2000 2.5581 0.8641 1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 0.2777 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 0.5858 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 1.4739 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 2.0267 0.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 1.7686 -1.2398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6028 -0.6355 -0.4750 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5825 -1.7596 0.3373 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -2.3644 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 -1.3211 -0.3721 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6409 -1.6517 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 -1.2492 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 -0.5425 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1091 0.5527 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 1.4465 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4287 1.4162 1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -0.1335 0.4541 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2335 -0.1137 -0.5882 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7125 0.4566 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 1.9602 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4616 0.6088 1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7201 0.1468 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 1.1738 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 -1.0327 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 -2.7767 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -3.1914 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -1.2790 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -2.7755 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -2.1174 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4471 -0.5556 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -1.2576 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 -0.1483 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 0.9743 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 2.3672 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 1.7721 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 0.7522 2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 1.7126 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 2.2856 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 -0.2281 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 0.5111 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 6 1 0 4 5 2 0 2 7 1 0 7 8 1 0 8 9 1 0 10 9 1 1 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 1 0 18 7 1 0 17 10 1 0 18 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 6 23 1 0 7 24 1 6 9 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 1 18 40 1 6 M END