B3COG9 -OEChem-04012115532D 39 41 0 1 0 0 0 0 0999 V2000 9.3412 2.4346 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8066 0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 1.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 2.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 1.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1512 3.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 1.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7548 3.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 1.1728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8578 1.9808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8550 0.3628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8083 1.6702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6183 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 0.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 -0.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 1.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 2.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1731 2.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 1.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 3.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -1.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 2.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6744 1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 14 3 1 1 0 0 0 3 31 1 0 0 0 0 15 4 1 1 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 22 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 19 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 6 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$