B9VJZ7 -OEChem-04012116082D 29 31 0 1 0 0 0 0 0999 V2000 4.3211 1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.6521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.9078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 -1.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -0.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 2.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 29 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$