B61ERQ -OEChem-04012118412D 31 32 0 0 0 0 0 0 0999 V2000 4.5981 -2.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.4239 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7891 1.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.6149 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3092 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 7 1 0 0 0 0 6 15 2 0 0 0 0 7 16 2 0 0 0 0 8 20 3 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$