RDKit 3D 103107 0 0 0 0 0 0 0 0999 V2000 1.1625 -0.8206 -1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 0.1310 -1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.5428 -0.8778 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2441 0.3009 -2.1116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 1.2807 -2.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5351 1.0236 -4.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 2.4887 -2.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 -0.0749 0.2764 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3491 0.8554 0.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 1.5591 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 1.4032 2.6064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 2.4734 1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8207 3.2108 2.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 4.0788 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8211 4.2354 2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6256 3.4912 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 2.6272 0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 -1.3682 -0.0240 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3748 -1.3023 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 -1.5487 -1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 -1.8473 -2.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6073 -1.4906 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3425 -1.7420 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7119 -1.6937 -2.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4054 -1.3846 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6982 -1.1370 -0.0315 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3358 -1.1850 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 -2.5283 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 -3.7767 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 -2.6311 2.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 -2.6843 1.0326 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0422 -3.7386 2.0867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 -2.4401 2.2008 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0348 -2.4380 2.1886 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6462 -3.6314 1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -1.1334 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 -0.1661 2.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 -0.9022 0.6665 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7510 -2.0772 -0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -2.2802 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -3.5753 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 -1.3430 -1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 -0.6106 1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7185 0.8686 1.6747 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1111 1.3905 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 1.3876 0.3572 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1990 1.6819 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 2.9149 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6297 3.0750 -1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 3.9120 -0.6326 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2435 0.2847 -0.1798 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8922 0.8358 -0.2653 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0237 2.1271 -0.9252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 3.2979 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 4.5656 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 3.3013 0.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 -1.1173 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 -1.3686 -2.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 1.6598 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 0.0920 -4.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 1.8276 -4.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8061 1.0167 -4.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -0.0705 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1105 3.0921 3.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 4.6501 3.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6691 4.9139 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3465 3.6221 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4243 2.0619 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 -1.6446 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7477 -1.9862 -3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2488 -1.8936 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5027 -1.3360 -1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7994 -0.9790 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 -3.8575 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -3.7123 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6015 -4.6954 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -3.1655 2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 -3.3071 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 -1.6636 2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -3.0026 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -1.7719 3.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -2.5714 3.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 -3.8352 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -4.5245 2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -3.5929 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0879 -3.4173 -2.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 -4.1666 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6592 -4.1890 -1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 -0.9165 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 -1.1124 2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0789 1.1338 2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 2.2123 2.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 0.5535 2.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6505 1.6743 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 2.3173 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6161 2.8858 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 2.4038 -2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 4.1239 -2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.0212 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4071 1.1138 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 4.8593 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 4.4623 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 5.4064 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 45 44 1 0 44 43 1 0 43 38 1 0 38 39 1 6 39 40 1 0 40 41 1 0 40 42 2 0 38 51 1 0 51 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 2 0 52 2 1 0 2 1 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 8 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 18 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 46 44 1 0 17 12 1 0 27 22 1 0 33 31 1 0 36 38 1 0 45 92 1 0 45 93 1 0 45 94 1 0 44 91 1 1 43 89 1 0 43 90 1 0 41 86 1 0 41 87 1 0 41 88 1 0 51 99 1 6 46 95 1 1 49 96 1 0 49 97 1 0 49 98 1 0 52100 1 1 55101 1 0 55102 1 0 55103 1 0 1 57 1 0 1 58 1 0 3 59 1 1 6 60 1 0 6 61 1 0 6 62 1 0 8 63 1 1 13 64 1 0 14 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 6 23 70 1 0 24 71 1 0 25 72 1 0 27 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 6 33 81 1 1 34 82 1 1 35 83 1 0 35 84 1 0 35 85 1 0 M END