D0M3RQ -OEChem-10101305022D 29 31 0 0 0 0 0 0 0999 V2000 8.9942 2.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 3.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 2.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 29 1 0 0 0 0 3 16 2 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 19 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 18 27 1 0 0 0 0 M END $$$$