BD4J1Z -OEChem-04022106392D 58 61 0 0 0 0 0 0 0999 V2000 14.6167 0.9424 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 -1.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -1.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1167 1.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4827 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7506 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -0.2951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 -1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6167 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 -1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7692 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1167 1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6167 2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 -2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 -2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0212 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2242 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2257 0.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 -2.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5090 -1.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 -1.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 0.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8178 0.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8067 0.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 -2.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -3.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 -2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4267 -0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 1.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 0.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 3.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 3.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0090 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6993 1.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1536 2.3645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 3.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0797 2.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 32 1 0 0 0 0 8 14 1 0 0 0 0 8 22 2 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 20 2 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 39 1 0 0 0 0 18 24 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 25 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$