RDKit 3D 48 49 0 0 0 0 0 0 0 0999 V2000 5.7933 -0.9251 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 0.0182 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 0.7312 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 0.3882 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.2377 -1.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0378 1.3374 0.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 1.9438 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 1.1094 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 1.4879 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4132 0.9106 1.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 0.9820 1.0080 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5925 2.0132 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 3.2072 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 1.4311 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 2.1279 -2.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 0.0622 -1.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -0.1978 0.3696 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7049 -1.5460 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 -2.2437 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 -3.1019 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5249 -4.0564 -0.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8278 -2.1687 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2471 -1.3652 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 0.0217 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 -1.4595 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -1.1888 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.0731 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 1.6051 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8592 1.1191 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 2.8475 0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 2.3910 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1982 2.3862 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.1041 2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 1.4764 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5074 1.4084 1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5556 3.5760 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 3.8102 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -0.1987 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -1.6547 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5788 -2.1939 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -2.4364 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 -3.4896 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -4.1057 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -2.7322 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -1.8639 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -1.4532 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 0.1753 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 0.0831 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 2 1 2 3 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 23 1 0 23 24 1 0 17 16 1 0 16 14 1 0 14 15 2 0 14 12 1 0 12 13 2 3 24 8 1 0 12 11 1 0 3 27 1 0 3 28 1 0 3 29 1 0 1 25 1 0 1 26 1 0 7 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 1 17 38 1 1 18 39 1 0 18 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 23 46 1 0 24 47 1 0 24 48 1 0 13 36 1 0 13 37 1 0 M END