RDKit 3D 40 42 0 0 0 0 0 0 0 0999 V2000 4.7216 2.4788 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6733 1.0540 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 0.3936 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 1.1176 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.4842 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 1.2153 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 0.5994 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.7771 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 -1.5120 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -2.8493 0.0705 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.8948 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1772 -1.6434 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -2.9770 0.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 -0.9685 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6509 -1.7778 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -1.4315 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8287 -2.5604 0.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -0.6002 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 0.6863 0.2253 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0714 1.4291 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5617 0.2747 1.5523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 1.4635 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 2.8071 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 2.9104 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 2.7540 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 2.1928 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 2.3080 -0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 -3.5724 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -3.6636 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -2.5479 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 -2.2888 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 -1.1218 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5395 -0.3050 -1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 -1.0822 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 0.7349 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 1.6744 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9786 2.3627 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -0.5646 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 1.8698 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4596 2.3277 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 14 2 0 14 15 1 0 14 12 1 0 12 13 1 0 12 11 2 0 11 9 1 0 9 10 1 0 9 8 2 0 8 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 1 19 22 1 0 22 7 1 0 7 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 5 11 1 0 7 8 1 0 1 23 1 0 1 24 1 0 1 25 1 0 15 30 1 0 15 31 1 0 15 32 1 0 13 29 1 0 10 28 1 0 18 33 1 0 18 34 1 0 20 35 1 0 20 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 22 40 1 0 6 27 1 0 4 26 1 0 M END