D04ITR OpenBabel04242015183D 95 98 0 0 0 0 0 0 0 0999 V2000 -0.1633 2.0824 -1.1824 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 3.3979 -0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 3.9354 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 2.8771 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 1.7564 -0.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 2.7558 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5034 4.1728 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 5.3975 -1.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 3.4898 -1.7117 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 4.1423 -1.8816 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4767 4.7415 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 5.0757 -3.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 6.4175 -2.8978 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 7.4541 -3.9581 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6577 7.1774 -5.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 7.7888 -4.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 4.6340 -4.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5903 8.2980 -6.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 7.0063 -4.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3986 8.8792 -5.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0473 6.7640 -4.4869 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4187 6.8401 -4.9889 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4624 6.7119 -6.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 5.2665 -6.9544 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2621 4.3653 -6.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1655 4.4519 -4.8283 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 5.7216 -4.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2656 5.1662 -8.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5377 5.8894 -3.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3082 3.2571 -3.9760 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1387 2.3305 -4.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5029 1.7992 -3.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 0.8768 -3.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5908 0.7606 -2.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6212 2.4565 -4.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9119 1.3926 -2.9977 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7590 0.6852 -1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8009 1.4554 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8731 1.5939 -1.7259 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4276 1.3064 -3.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1303 0.9753 -3.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3023 0.2164 -4.3844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 0.3629 -5.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 1.2170 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 2.2284 -5.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 2.2741 -6.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 1.2574 -7.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 0.3981 -6.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -0.5230 -4.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0463 4.9599 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 3.7456 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 2.2939 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 2.1582 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 2.4731 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5717 3.3302 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8653 5.5498 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5638 3.9710 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 5.1495 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2983 6.6691 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4072 8.3644 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 6.2545 -5.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 9.2743 -5.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 8.3463 -6.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 8.1256 -6.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 7.9361 -4.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 6.7354 -5.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2087 6.2156 -3.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6957 5.8388 -4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8394 7.8107 -4.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4443 7.0464 -6.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7178 7.3726 -6.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2221 4.9519 -6.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1363 3.3286 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2769 4.6788 -6.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2255 5.5098 -8.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 4.1346 -8.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4768 5.7836 -8.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2543 3.6285 -2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 2.1087 -5.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7649 2.0560 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6843 1.9801 -5.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4358 3.2003 -4.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5544 2.2291 -2.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7590 0.6729 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0838 -0.3676 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4418 2.4606 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1467 0.9471 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8559 1.4855 -1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 1.1232 -3.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 2.9770 -4.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 3.0783 -7.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 1.1241 -8.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 -0.2531 -7.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 -0.8610 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 -1.4277 -5.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 6 53 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 55 1 6 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 59 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 60 1 1 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 61 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 21 68 1 0 0 0 0 22 23 1 0 0 0 0 22 21 1 0 0 0 0 22 69 1 1 0 0 0 23 24 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 72 1 0 0 0 0 25 26 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 29 2 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 30 35 1 0 0 0 0 30 31 1 0 0 0 0 30 26 1 0 0 0 0 30 78 1 1 0 0 0 31 32 2 0 0 0 0 31 79 1 0 0 0 0 32 33 1 0 0 0 0 32 80 1 0 0 0 0 33 42 1 0 0 0 0 33 34 2 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 37 1 0 0 0 0 36 35 1 0 0 0 0 36 83 1 1 0 0 0 37 38 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 39 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 40 1 0 0 0 0 39 88 1 0 0 0 0 40 36 1 0 0 0 0 40 41 2 0 0 0 0 42 49 1 0 0 0 0 43 44 2 0 0 0 0 43 48 1 0 0 0 0 43 49 1 0 0 0 0 44 45 1 0 0 0 0 44 89 1 0 0 0 0 45 46 2 0 0 0 0 45 90 1 0 0 0 0 46 47 1 0 0 0 0 46 91 1 0 0 0 0 47 48 2 0 0 0 0 47 92 1 0 0 0 0 48 93 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 M END $$$$