BDAT14 -OEChem-04022101032D 53 56 0 0 0 0 0 0 0999 V2000 11.5867 -5.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.9510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.3415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -3.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 -4.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 -5.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7052 -3.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 -4.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9114 -4.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3181 -3.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2120 -2.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 -5.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 -5.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7793 -5.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 5.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 5.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 48 1 0 0 0 0 2 29 1 0 0 0 0 2 31 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 39 1 0 0 0 0 5 12 1 0 0 0 0 5 15 2 0 0 0 0 6 10 2 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 22 2 0 0 0 0 8 30 3 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$