RDKit 3D 40 42 0 0 0 0 0 0 0 0999 V2000 4.4353 1.4964 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 1.0649 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.7913 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 1.0065 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5032 -0.2291 -0.8423 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6937 -1.5048 -0.8733 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5566 -2.6264 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 -1.5264 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -0.5931 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 -0.7355 0.1775 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8549 -0.4794 1.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4946 0.5056 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 1.7981 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 0.5675 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 -0.2937 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 -0.2767 -0.1666 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3450 2.2522 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0546 0.6276 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0698 2.0117 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 2.8144 0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 1.6421 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 0.8188 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5606 -1.7969 -1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6974 -2.4997 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 -3.5600 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 -2.6914 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 -2.5601 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -1.3373 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.4239 -0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 -1.0231 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 -1.5823 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 1.8360 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4575 2.1058 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4473 2.5975 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 0.7096 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3485 1.3896 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -0.3637 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 0.6082 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 -1.2251 -2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 -1.1631 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 6 5 1 0 5 15 1 6 15 16 1 0 16 2 1 0 2 1 1 0 2 3 2 0 3 4 1 0 12 10 1 0 16 5 1 0 4 5 1 0 7 24 1 0 7 25 1 0 7 26 1 0 6 23 1 6 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 1 13 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 1 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 M END