RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 -4.7190 3.2297 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6088 2.4608 0.1216 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 1.1272 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2491 0.1380 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6215 0.1652 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0761 -1.1360 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0248 -1.9092 0.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9128 -1.1995 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 -1.5100 0.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 -0.5585 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 -0.9329 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -2.2892 -0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -3.0220 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 0.0085 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -0.3752 -0.2762 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 0.6545 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 0.2173 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 -1.0123 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 -2.1303 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.3610 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1653 -0.3076 -0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3614 0.5628 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3289 1.6906 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 0.4404 1.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.3324 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 1.7384 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 0.7767 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 3.2489 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 4.2773 0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 2.8332 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2157 1.0656 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0882 -1.5088 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -3.4257 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 -2.4172 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 -3.9175 -1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 1.2971 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 1.3259 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 1.0371 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 -3.1247 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 -2.1396 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 -2.1395 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5165 -2.1219 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 -1.9139 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 2.6389 0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9919 1.6535 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9576 1.6716 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 2.0889 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2922 2.7720 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 2 0 14 25 2 0 25 26 1 0 26 27 2 0 27 3 1 0 8 4 1 0 27 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 6 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 19 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 23 44 1 0 23 45 1 0 23 46 1 0 25 47 1 0 26 48 1 0 M END