BTHE57 -OEChem-04042104413D 29 29 0 1 0 0 0 0 0999 V2000 0.5715 -0.8697 -0.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 -1.7685 0.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.0110 0.1584 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1776 0.5389 0.1065 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 0.5346 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 0.4452 -0.5580 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1537 1.3945 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 1.0660 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -0.3870 1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1378 -1.2313 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 -0.7883 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.0547 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1551 1.5640 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6637 -0.0732 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 0.6505 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 1.7612 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 2.2449 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 1.9387 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 1.3403 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0428 0.6351 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 -1.1905 1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1539 -0.7276 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2968 0.4935 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 -0.9695 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -1.6516 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 -1.9719 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 1.5412 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 0.2408 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 1.7811 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 M CHG 1 3 1 M END $$$$