RDKit 3D 53 55 0 0 0 0 0 0 0 0999 V2000 -2.6014 1.4224 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 0.2375 2.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -0.9019 2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 0.3619 0.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -0.7284 0.0109 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9616 -1.7234 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -1.3995 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 -2.0574 -1.4498 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5859 -3.2426 -1.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -1.0488 -2.3191 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8668 -1.7724 -3.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -1.4672 -3.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -0.3621 -3.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -0.2275 -1.8120 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2196 0.9965 -1.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 0.9651 -0.6335 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0961 1.5379 0.6198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0746 1.0003 1.4563 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8021 1.3691 2.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 0.8540 3.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 1.4020 1.0573 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3509 0.6486 1.8462 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 1.0970 -0.3947 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9115 1.6866 -0.8133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 1.6200 -1.1970 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7152 1.3246 -2.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.2756 -1.4095 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6942 1.6732 3.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 1.2623 4.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 2.2934 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 -1.1827 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 -2.4355 -0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -2.2848 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 -2.1828 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -0.6630 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 -2.2043 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1501 -3.9534 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 -0.3355 -2.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3836 -2.6276 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1998 -2.0181 -4.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -0.9949 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 -0.0992 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 -0.1231 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 0.9514 3.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 2.4684 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9635 -0.0913 3.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5756 2.4871 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 0.8153 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -0.0066 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 2.4727 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 2.7313 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 1.9081 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 0.8228 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 14 27 1 0 27 5 1 0 27 10 1 0 25 16 1 0 1 28 1 0 1 29 1 0 1 30 1 0 6 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 6 9 37 1 0 10 38 1 6 11 39 1 0 12 40 1 0 14 41 1 1 16 42 1 1 18 43 1 1 19 44 1 0 19 45 1 0 20 46 1 0 21 47 1 6 22 48 1 0 23 49 1 1 24 50 1 0 25 51 1 6 26 52 1 0 27 53 1 1 M END