BD2QM6 -OEChem-04022106292D 40 41 0 1 0 0 0 0 0999 V2000 7.6138 -0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 3.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.5985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.4996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.3520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.7552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2566 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 1.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 1.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 3.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 2.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 3.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 39 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 40 1 0 0 0 0 5 23 2 0 0 0 0 10 6 1 6 0 0 0 6 16 1 0 0 0 0 6 27 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 0 0 0 0 15 8 1 1 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 19 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$