D00MFW -OEChem-09301911122D 44 47 0 0 0 0 0 0 0999 V2000 11.2717 2.0309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.4730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2717 3.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2717 -1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2717 2.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2717 2.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -1.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -3.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6736 -0.4691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5396 -0.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0317 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0037 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2717 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 -0.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 -0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 -0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -1.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 -0.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 -2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1434 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2717 -0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 -2.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0317 1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9377 0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9377 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8987 0.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8687 0.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -3.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 0.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3381 -2.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -0.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0245 1.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6736 0.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4735 0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4735 -0.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7348 3.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 16 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 20 1 0 0 0 0 3 43 1 0 0 0 0 4 26 2 0 0 0 0 5 44 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 40 1 0 0 0 0 11 22 2 0 0 0 0 12 17 1 0 0 0 0 12 31 2 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 21 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 23 2 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 34 1 0 0 0 0 24 27 2 0 0 0 0 24 35 1 0 0 0 0 25 28 2 0 0 0 0 25 36 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 29 30 2 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 M END $$$$