BNV56E -OEChem-04012115222D 44 46 0 1 0 0 0 0 0999 V2000 5.9134 2.6514 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.2765 4.3450 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 -0.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 -1.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 1.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 2.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 5.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 5.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0185 3.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -4.1717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -0.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8066 -1.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8578 0.0063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8550 -1.6118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5504 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 -0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7085 -1.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 0.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 -2.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 1.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 0.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 0.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1814 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -3.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 4.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 3.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 2.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 5.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9445 4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 26 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 2 26 1 0 0 0 0 3 28 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 18 5 1 1 0 0 0 5 35 1 0 0 0 0 19 6 1 6 0 0 0 6 36 1 0 0 0 0 7 22 1 0 0 0 0 8 40 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 21 13 1 6 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 23 2 0 0 0 0 15 28 1 0 0 0 0 16 27 1 0 0 0 0 16 28 2 0 0 0 0 17 27 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 6 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$