RDKit 3D 81 82 0 0 0 0 0 0 0 0999 V2000 -1.3419 2.1057 -2.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0746 2.5098 -1.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 1.6394 -0.1230 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6508 1.5069 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 2.5769 0.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 0.5078 0.9812 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 0.6324 1.3689 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3016 -0.3252 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 -1.1443 -0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 -0.3757 0.5826 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5331 0.5314 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3815 -1.3578 -0.2347 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0220 -1.2414 -1.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 -0.7849 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2767 -0.3789 -2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 -0.6991 -3.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2351 -0.2781 -4.8361 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -1.0662 -4.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 -2.7484 0.3203 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7321 -3.8111 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 -2.8111 1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6627 0.3385 2.8186 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8640 1.2932 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 -1.1063 3.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 0.3870 -0.2448 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7724 -0.4422 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -0.5091 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 0.5438 -0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7445 0.0566 -1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0556 0.4147 -1.8867 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 0.1013 -2.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3909 1.1221 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 1.7073 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6415 2.3838 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4767 2.4648 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 1.8871 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 1.2137 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 1.3048 -2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 2.9843 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 1.8222 -3.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 3.5018 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 2.3455 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 -0.4081 1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 1.6461 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8943 0.0627 2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 1.5302 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 0.7532 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 -1.1979 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.5360 -1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -1.2660 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 0.1534 -3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3630 0.3231 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 -0.2923 -4.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 -2.9728 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2278 -4.7866 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8686 -3.4830 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 -3.9473 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7735 -2.4417 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -3.9040 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4752 -2.2357 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 0.4809 3.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 0.7676 4.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 1.7330 4.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 2.1810 3.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -1.1786 3.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -1.5090 3.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 -1.7712 2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 -0.6443 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 -1.4307 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 0.1412 1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3887 -0.2440 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0258 -0.6178 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4876 -1.5790 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 -0.5289 -2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 0.1910 -3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8956 0.7365 -2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3354 -0.9510 -2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4484 1.6405 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5713 2.8366 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5096 2.9857 2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4402 1.9606 1.8258 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 4 5 2 0 4 6 1 0 6 7 1 0 7 22 1 0 22 23 1 0 22 24 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 18 1 0 16 17 2 0 12 19 1 0 19 20 1 0 19 21 1 0 3 25 1 0 25 26 1 1 25 27 1 0 25 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 28 1 0 37 32 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 3 42 1 1 6 43 1 0 7 44 1 1 22 61 1 1 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 24 67 1 0 11 45 1 0 11 46 1 0 11 47 1 0 12 48 1 6 13 49 1 0 15 50 1 0 15 51 1 0 15 52 1 0 18 53 1 0 19 54 1 1 20 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 21 60 1 0 26 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 27 73 1 0 29 74 1 0 31 75 1 0 31 76 1 0 31 77 1 0 33 78 1 0 34 79 1 0 35 80 1 0 36 81 1 0 M END