B6VL8T -OEChem-04022107082D 40 42 0 1 0 0 0 0 0999 V2000 4.9488 -1.7415 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 -2.2560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 1.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 0.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 -1.5190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5400 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -0.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -1.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 -2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 -3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9277 3.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -3.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 -2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -0.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7426 1.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 2.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 2.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 1.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 2.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 3.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -3.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 4.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 3.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 0.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 -1.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -4.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4023 -3.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 9 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$