B45EMH -OEChem-04022106423D 29 31 0 0 0 0 0 0 0999 V2000 -2.0430 1.6654 -0.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 -1.3280 0.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -0.7477 -1.9695 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -0.9916 0.5604 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 -0.5772 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 0.6978 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8334 1.0008 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 -0.4516 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3639 1.5882 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 0.9107 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3009 -1.6913 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 0.9088 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 0.3936 -1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 0.7880 1.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 -1.4922 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2112 -0.2053 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -0.2464 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 0.1476 1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -0.3696 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 2.6621 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 -2.6791 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7854 1.8972 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 0.4891 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 1.1863 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 -2.3394 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2883 -0.0794 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 0.0588 2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.5712 -2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5543 -0.9824 1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 2 0 0 0 0 3 17 1 0 0 0 0 3 28 1 0 0 0 0 4 19 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$