B9HQO4 -OEChem-04022106202D 36 38 0 0 0 0 0 0 0999 V2000 4.5981 -1.5223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 3.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.0569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 3.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3889 2.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 3.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7565 4.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$