B61JBE -OEChem-04012112382D 31 33 0 0 0 0 0 0 0999 V2000 6.0531 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2095 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.7095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7095 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 -0.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4027 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7356 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2389 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8241 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 10 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 26 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$