RDKit 3D 29 31 0 0 0 0 0 0 0 0999 V2000 4.6070 1.2676 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -0.0679 -0.4385 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4413 -1.0358 0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.0479 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -1.1956 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4353 -0.7924 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4453 0.5885 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 0.9657 -0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.2775 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 2.5277 -0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 0.5168 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3102 1.1375 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3554 2.5286 0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 0.3855 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4582 -0.9934 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 -1.6181 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0709 -0.8693 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -1.5735 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -2.8343 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 1.2361 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 1.4915 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0393 2.0218 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 -0.4154 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9694 -1.8760 0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 -2.2405 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 3.0471 0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4544 0.8721 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3412 -1.6073 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 -2.6968 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 8 4 1 0 17 11 1 0 18 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 6 3 24 1 0 5 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 M END