BD4NB2 -OEChem-04022106132D 40 42 0 0 0 0 0 0 0999 V2000 2.8660 -0.1160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 1.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 0.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5551 -0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 -1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6289 -0.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7120 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 19 2 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$