RDKit 3D 42 45 0 0 0 0 0 0 0 0999 V2000 3.8131 -1.2714 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -1.5024 -0.0870 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7068 -1.9811 -1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -2.7996 -2.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -1.5753 -1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -0.8688 -0.8683 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4088 -1.8388 -0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -1.4051 0.6100 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2365 -2.3797 0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 -0.0241 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 0.9596 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.9602 0.8745 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1225 2.1651 0.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0355 2.9966 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 1.8724 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0327 0.8074 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 -0.1772 0.2612 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1685 -0.3445 0.3551 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0153 -1.2914 1.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -1.4447 1.7096 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 -0.5478 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -2.2186 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1525 -0.8015 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -2.2769 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.1643 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 -2.0029 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0335 -3.3910 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 -2.3245 1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6753 -0.0009 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 0.2336 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 1.9722 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0822 0.7651 2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 1.0338 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 2.9032 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 3.6987 0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 3.6645 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 2.3874 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 1.7113 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 2.8215 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 1.2394 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 0.2744 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 0.1662 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 14 13 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 2 1 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 1 8 10 1 0 10 11 1 0 11 12 1 0 12 18 1 0 18 19 1 1 19 20 1 0 12 13 1 0 18 17 1 0 18 6 1 0 20 8 1 0 14 35 1 0 14 36 1 0 14 37 1 0 13 34 1 1 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 1 2 24 1 1 1 21 1 0 1 22 1 0 1 23 1 0 6 25 1 6 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 1 M END