BE5D7B -OEChem-04012115332D 41 45 0 0 0 0 0 0 0999 V2000 4.5028 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 -1.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4868 -0.7898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 0.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0311 -0.9851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0311 -2.5946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3822 0.2047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3653 -2.1747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3528 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0849 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9041 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0849 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5732 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3528 -2.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6298 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -2.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4041 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6147 -1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -0.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8159 -2.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 -0.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 1.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -3.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 -0.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 0.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 -3.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 1.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 3.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 -2.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8261 -2.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 2.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 23 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 6 35 1 0 0 0 0 7 22 2 0 0 0 0 8 13 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 15 2 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 21 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 24 2 0 0 0 0 17 20 1 0 0 0 0 17 25 2 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 34 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 25 27 1 0 0 0 0 25 37 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$