BDAS81 -OEChem-04022101362D 45 48 0 0 0 0 0 0 0999 V2000 4.6783 2.1476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -1.3226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -1.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9509 -2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9450 -2.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 -0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5473 -3.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5356 -2.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1379 -3.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1321 -3.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -0.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -0.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 1.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 0.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 -1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 -1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2158 -0.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 4.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7109 -0.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 -3.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1520 -2.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8877 -4.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4982 -4.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 11 1 0 0 0 0 9 17 2 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 12 14 2 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 19 23 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$