BBE18V -OEChem-04012117432D 37 39 0 0 0 0 0 0 0999 V2000 5.3147 -0.4778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 2.9109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 2.2723 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 4.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 2.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 2.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3041 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 3.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 1.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -1.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 3.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 3.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7071 4.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 4.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5731 2.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 20 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 20 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 14 26 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 21 2 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 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 M END $$$$