B0J2MI -OEChem-04022107082D 40 43 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 6.1269 1.7752 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 5.7306 -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 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 5.1713 1.4804 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 4.4382 2.1606 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 4.6608 3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 1.8658 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 2.7496 2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 3.5209 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 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 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 5.2532 3.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3447 1.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 4.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1572 2.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 3.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$