RDKit 3D 81 81 0 0 0 0 0 0 0 0999 V2000 0.3180 -3.9000 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0594 -2.8076 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 -2.4481 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8725 -2.0820 -1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 -2.4026 -2.3479 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 -1.4242 -1.8158 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 -1.7269 -1.3110 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6583 -3.2309 -1.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6539 -1.2442 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -2.0555 0.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3217 -0.0121 0.6108 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2314 0.0672 2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0555 1.2250 -0.0957 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2672 1.7282 -0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4507 2.0076 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9138 3.0414 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 2.2306 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 2.9768 1.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 2.4577 1.0222 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 1.5828 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 1.4258 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4576 2.3804 2.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 0.2102 1.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0523 -0.5910 0.4580 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4263 -0.2375 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -0.5673 -1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 0.3714 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5169 0.7808 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 1.1291 2.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 1.1542 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4363 0.9983 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3455 -0.4370 -1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 1.9945 -1.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9225 1.2878 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 -2.0449 0.8233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6915 -2.1980 2.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3596 -4.1887 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 -4.4986 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -1.7295 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0597 -3.4017 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9608 -0.6490 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1407 -1.2738 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 -3.7196 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 -3.6128 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5346 -3.4748 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 0.9107 2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2901 0.1269 2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -0.8739 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 0.9964 -0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5664 1.0367 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 1.2680 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4679 3.0576 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3691 1.9612 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5614 3.7842 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 2.9342 -2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 3.3767 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 3.3061 1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5483 0.5899 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 1.9352 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3359 -0.3745 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 -0.7189 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 -1.5099 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 0.2385 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 0.5176 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 2.1398 2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 0.7916 2.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 0.3933 2.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 1.6547 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3272 -0.9509 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 -1.0251 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -0.4971 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 2.6437 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6805 2.6936 -2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 1.4765 -2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3601 1.4877 -1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4372 0.3806 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0749 2.1536 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -2.4910 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 -2.3073 2.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -1.2189 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.9788 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 15 14 1 0 14 16 1 0 14 13 1 0 13 11 1 0 11 12 1 0 11 9 1 0 9 10 2 0 9 7 1 0 7 8 1 0 7 6 1 0 6 4 1 0 4 5 2 0 4 3 1 0 3 2 1 0 2 1 2 3 2 35 1 0 35 36 1 0 35 24 1 0 24 23 1 0 23 21 1 0 21 22 2 0 21 20 1 0 20 19 1 0 19 17 1 0 17 18 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 17 13 1 0 15 51 1 0 15 52 1 0 15 53 1 0 14 50 1 0 16 54 1 0 16 55 1 0 16 56 1 0 13 49 1 6 12 46 1 0 12 47 1 0 12 48 1 0 7 42 1 6 8 43 1 0 8 44 1 0 8 45 1 0 6 41 1 0 3 39 1 0 3 40 1 0 1 37 1 0 1 38 1 0 35 78 1 1 36 79 1 0 36 80 1 0 36 81 1 0 24 60 1 6 20 58 1 0 20 59 1 0 19 57 1 0 26 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 29 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 32 69 1 0 32 70 1 0 32 71 1 0 33 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 34 76 1 0 34 77 1 0 M END