RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 4.6102 -0.2405 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 -0.3286 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -1.3282 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -0.6036 -0.0969 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9741 -0.2716 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 0.5286 -0.8549 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4946 1.8546 -0.4391 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9522 1.5949 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9415 0.5204 0.8175 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3544 0.9979 0.1924 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2332 1.7500 1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 1.3400 1.0698 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0207 0.4732 2.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 0.7911 -0.2329 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3946 0.2217 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -0.3206 -0.7827 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9014 -1.6937 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2049 -0.2430 -2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8862 0.6337 -2.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4626 -1.0698 -3.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -0.3140 -0.0366 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0592 -1.3382 -0.3834 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0044 -2.5596 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 -3.6897 -0.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -2.3630 1.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 1.8524 -0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 2.4649 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 2.0970 -1.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 0.4844 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -0.9203 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 -2.3145 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -1.3343 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 0.2114 -2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -1.2140 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 0.6629 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 2.6750 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 2.5045 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 1.2353 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7135 0.1053 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 2.8290 1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 1.4889 2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2791 2.2640 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 0.9957 2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 1.5922 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8759 0.1266 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -1.7005 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 -2.4114 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -1.9909 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -0.7437 -3.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -0.6544 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 -1.6772 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6511 -2.9700 2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 17 16 1 0 16 21 1 0 21 22 1 0 22 23 1 0 23 25 1 0 23 24 2 0 22 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 10 26 1 6 26 27 2 0 26 28 1 0 6 2 1 0 2 1 2 3 2 3 1 0 16 18 1 6 18 20 1 0 18 19 2 0 14 16 1 0 10 21 1 0 9 4 1 0 4 3 1 1 28 7 1 0 17 46 1 0 17 47 1 0 17 48 1 0 21 50 1 1 22 51 1 6 25 52 1 0 5 33 1 0 5 34 1 0 6 35 1 6 7 36 1 1 8 37 1 0 8 38 1 0 9 39 1 1 11 40 1 0 11 41 1 0 12 42 1 1 13 43 1 0 14 44 1 6 15 45 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 20 49 1 0 M END