DR8583 -OEChem-08132116333D 50 53 0 1 0 0 0 0 0999 V2000 -2.6788 -1.5446 -1.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -2.0987 1.0190 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.8529 -0.7285 -0.2931 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 1.1082 0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5742 -0.5818 -0.5857 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 0.1520 0.1494 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6014 1.4058 0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 -0.7723 0.3583 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1402 -1.5719 -0.9158 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4966 -0.8731 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2851 -2.8985 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 -2.7286 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 -0.1073 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -2.0044 2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 1.4403 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 0.3697 -0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2138 -0.7779 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 2.5514 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 0.3919 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2279 2.5569 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6727 1.4973 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 0.4135 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 1.3871 0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1445 -0.3031 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2275 1.6440 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5152 -0.0461 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0568 0.9275 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4610 1.1914 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -0.1072 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 -1.7815 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 0.1302 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 -1.4336 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -3.5960 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 -3.3591 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3642 -2.1466 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -3.7255 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.1155 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -1.6517 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 -2.9927 2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 -1.3335 3.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 1.6655 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6022 3.3724 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 -0.4264 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 0.7142 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 3.4023 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6715 1.5303 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 1.9523 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8003 -1.0709 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6348 2.4060 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -0.6124 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 41 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 7 28 3 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$