BDI72N -OEChem-04022107033D 44 47 0 0 0 0 0 0 0999 V2000 5.9396 2.9886 -1.0817 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5303 1.9841 -0.0025 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 2.9702 1.0928 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 -1.7858 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 0.4987 0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 -2.4591 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 -0.3560 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 -0.1428 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5367 -0.9636 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1053 -1.5106 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3105 0.5138 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 0.8268 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2767 1.5079 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 2.1468 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8025 -0.4475 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 2.8390 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4934 3.1555 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0017 -1.9570 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 -2.0353 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -2.0391 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -2.2929 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 -2.2058 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -2.2095 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -1.3209 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3826 0.9302 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2366 -1.4705 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -0.3125 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 0.9605 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1778 2.1870 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0675 -1.2772 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0932 -1.2878 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8977 -2.1337 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9114 -2.1130 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3333 1.2624 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 2.4246 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5968 3.6370 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1847 4.1976 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 -1.9682 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.9749 2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5672 -2.2711 -2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -2.2777 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 -2.4484 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -0.3968 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 1.9009 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 15 2 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 24 2 0 0 0 0 8 28 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 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$