RDKit 3D 42 45 0 0 0 0 0 0 0 0999 V2000 -2.2526 -2.3123 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -0.9494 0.5524 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7575 0.1415 -0.1231 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5331 -0.4282 -1.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6105 0.9863 -0.7258 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0522 2.2712 -0.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 0.2236 -1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 0.6811 -3.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5682 -0.9544 -1.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 -1.0298 -0.6172 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3713 -0.0368 -0.8573 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8271 1.2202 -0.1912 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9115 1.0561 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 0.0396 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -1.1773 0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 0.7504 -0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 0.9147 0.3079 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8717 1.6511 1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 -0.5913 0.5685 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0036 -0.9210 1.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1986 -2.7104 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -2.9918 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -2.2890 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -0.9766 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 0.7260 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -0.3428 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 2.1907 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 -2.0757 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 0.1177 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 2.0850 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 2.0507 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 0.7573 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 -1.6675 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 -1.9346 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -0.9431 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 0.9119 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 1.7413 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 0.1037 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 2.4957 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 0.9602 2.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 2.0069 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.7510 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 6 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 12 17 1 0 17 18 1 1 17 19 1 0 19 20 1 1 19 2 1 0 17 5 1 0 19 10 1 0 14 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 1 3 25 1 1 4 26 1 0 6 27 1 0 10 28 1 1 11 29 1 6 12 30 1 6 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 18 39 1 0 18 40 1 0 18 41 1 0 20 42 1 0 M END