BDOA26 -OEChem-04012112072D 105109 0 0 0 0 0 0 0999 V2000 5.6788 -2.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 1.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -3.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -6.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 2.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 -12.1278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -4.0739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -5.9217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -7.6389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 3.6225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 5.4703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 7.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 12.2087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 11.1543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1486 -10.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -11.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 -10.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 -9.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 -11.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5227 -11.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3747 -8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -4.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4441 -4.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 -5.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -5.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 -6.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 2.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 4.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 3.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 5.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 4.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 8.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 8.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 8.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 9.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4265 9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 10.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0438 10.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 11.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5339 -10.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 1.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -10.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0169 -11.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7454 -10.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 -9.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -1.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 -2.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3132 -1.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 0.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 1.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 1.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 -0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -1.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 0.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3132 0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -8.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -9.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 -12.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 -12.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9416 -11.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 -11.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1512 -12.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 -9.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 -8.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 -4.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -5.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 -4.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 -3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 -5.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -6.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2457 -5.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3497 -4.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -7.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1671 3.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2712 4.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 3.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1751 3.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9709 5.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 5.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 5.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 4.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 7.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 8.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 7.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 8.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 9.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 9.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 11.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6473 12.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 12.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0214 11.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 35 1 0 0 0 0 2 18 1 0 0 0 0 2 37 1 0 0 0 0 3 35 2 0 0 0 0 4 36 2 0 0 0 0 5 37 2 0 0 0 0 6 42 2 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 76 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 35 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 36 1 0 0 0 0 10 30 1 0 0 0 0 10 36 1 0 0 0 0 10 87 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 96 1 0 0 0 0 14 50 1 0 0 0 0 14103 1 0 0 0 0 14104 1 0 0 0 0 15 50 2 0 0 0 0 15105 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 16 51 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 52 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 53 1 0 0 0 0 19 28 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 29 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 26 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 30 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 33 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 34 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 38 40 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 41 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 43 44 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 45 99 1 0 0 0 0 46 48 2 0 0 0 0 46100 1 0 0 0 0 47 49 2 0 0 0 0 47101 1 0 0 0 0 48 49 1 0 0 0 0 48102 1 0 0 0 0 49 50 1 0 0 0 0 M END $$$$