BBVP97 -OEChem-04012116542D 40 41 0 1 0 0 0 0 0999 V2000 4.6456 -0.3255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 3.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0404 3.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 4.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 4.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 1.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 3.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 2.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 2.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 3.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 5.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 5.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 4.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 3.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 4.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 4.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 3.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 35 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 23 1 0 0 0 0 6 40 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 9 8 1 1 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$