RDKit 3D 85 84 0 0 0 0 0 0 0 0999 V2000 -9.0104 3.1419 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7312 2.6821 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6368 2.4086 -0.3034 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9360 1.3954 -1.2667 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3814 2.1515 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 2.9656 1.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 0.9923 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9344 0.1835 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3557 0.7256 0.8845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 -0.5161 0.5572 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6816 -1.4035 1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -2.7213 1.7879 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5444 -2.7382 1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -3.5742 2.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 -0.0820 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 0.7973 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -0.5514 -0.7682 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -0.1111 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 -0.6124 -2.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.7880 -0.3513 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5981 1.2031 0.9716 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 0.2607 -0.5366 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4547 -1.1125 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2574 1.2517 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 0.7719 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8351 -0.2885 -0.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8172 1.5372 0.3705 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4254 2.7620 1.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 0.6617 1.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0829 -0.5525 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 1.4111 1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 -1.5481 -1.6749 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1421 -2.7198 -1.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -3.6249 -2.6711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -3.0028 -1.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -0.8517 -3.0396 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8434 -1.8840 -3.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 0.1961 -2.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9000 2.9497 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1050 2.7080 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9411 4.2410 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3762 3.5122 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9057 1.8125 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4561 3.3601 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5395 0.6208 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2689 1.7766 -2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 1.3288 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 -0.9526 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8101 -1.5521 1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -0.8347 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -3.2917 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -1.7331 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -3.2888 2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 -3.3123 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 -3.8454 2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6002 -2.8870 3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -4.4220 3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 1.7550 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 2.1220 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 0.5556 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 0.2287 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -1.5408 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -1.7715 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 -1.0198 0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0848 1.3792 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 2.2410 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 1.8408 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0732 3.5415 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 2.5403 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0433 0.3222 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0890 -0.9018 0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3977 -1.4149 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -0.3437 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0515 1.1805 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6604 2.5044 1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7213 1.1193 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 -1.8689 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 -3.8489 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 -0.4897 -3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 -1.2581 -4.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 -2.4982 -3.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -2.4133 -4.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 0.8463 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 0.8854 -3.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2558 -0.2747 -2.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 10 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 17 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 32 36 1 0 36 37 1 0 36 38 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 6 4 45 1 0 4 46 1 0 9 47 1 0 10 48 1 6 11 49 1 0 11 50 1 0 12 51 1 6 13 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 14 57 1 0 20 58 1 6 21 59 1 0 21 60 1 0 22 61 1 6 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 27 67 1 6 28 68 1 0 28 69 1 0 29 70 1 1 30 71 1 0 30 72 1 0 30 73 1 0 31 74 1 0 31 75 1 0 31 76 1 0 32 77 1 1 35 78 1 0 36 79 1 6 37 80 1 0 37 81 1 0 37 82 1 0 38 83 1 0 38 84 1 0 38 85 1 0 M END