BTA1M5 -OEChem-04042101443D 62 65 0 1 0 0 0 0 0999 V2000 5.9806 -0.9905 -1.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6533 0.1340 0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 0.3987 -0.5732 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 -1.2056 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.5201 -0.3258 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1007 1.3195 0.1670 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9331 -0.1438 0.8645 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1088 -0.9365 0.2864 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9936 0.3245 0.9754 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0944 -0.0244 -0.4727 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1073 1.3217 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -1.0329 1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 -0.2945 2.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 0.5421 -1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.8262 -1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 -1.7612 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 0.9390 1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 2.5452 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 -1.0531 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 2.4211 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 1.4808 0.2198 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1605 -2.1636 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 1.0940 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 -0.1928 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3975 -1.9865 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3163 -3.0815 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 -0.3075 -0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 0.6321 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 -1.6599 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 -0.5120 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4176 2.2538 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5715 1.6090 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 -1.4076 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -1.9126 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.0066 2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 0.4726 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -0.2689 -2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 1.1980 -2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3798 2.5936 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 1.0005 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4893 -2.6446 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3557 -1.1713 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 0.1813 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 1.7455 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 2.2761 1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 3.0697 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 3.2816 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 3.3626 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 2.6821 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 2.0494 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9541 -3.1130 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 -2.2074 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 1.8073 0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4574 1.6604 -0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 0.7032 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 0.0040 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5014 -1.4119 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2394 -1.3208 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5455 -2.4181 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2341 -3.6774 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -2.6668 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4729 -3.7508 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 24 2 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 3 56 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 22 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 M END $$$$