BFDQ87 -OEChem-04012115243D 53 57 0 1 0 0 0 0 0999 V2000 0.6784 2.0159 -1.2773 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 2.7299 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7224 2.0964 -1.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 1.5834 -0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 0.8477 1.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 -3.2361 1.3908 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 -0.0680 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 0.2802 1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 1.0751 0.9797 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4666 1.0993 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6777 0.8664 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 -0.1709 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 1.4639 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 -0.3133 2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 -1.3615 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 2.2377 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5457 2.1980 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 1.4276 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 1.5901 -0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 3.3057 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -1.4045 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.9111 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -2.2262 1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0445 -3.0692 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -1.5074 -1.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 -3.8470 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.2754 -2.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -3.4269 -1.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 1.0172 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2379 -0.6110 2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 0.8278 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3481 0.7951 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 1.9660 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 -0.0653 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 -0.3249 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 1.4908 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 2.7279 -1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 1.8296 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 3.0127 1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 0.5792 2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 -1.1329 2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 -0.5745 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 -2.2023 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 -1.2642 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 -1.6319 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 4.1244 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 3.7331 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9169 -2.1926 2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -3.9946 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 -0.6212 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 -4.7432 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 -1.9696 -3.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 -4.0083 -2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 18 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 31 1 0 0 0 0 10 19 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 2 0 0 0 0 12 21 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$