LDQ6B5 -OEChem-05022322552D 44 46 0 1 0 0 0 0 0999 V2000 3.3080 0.4249 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -3.4115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -1.4115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7692 -1.2964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 -2.5836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -1.9115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4888 -1.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -2.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -2.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8182 -1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -1.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 -0.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0902 -0.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -2.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 -1.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4107 -3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 -3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -2.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -1.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 2.9487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 4.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 -2.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -2.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 0 0 0 0 8 5 1 1 0 0 0 5 13 1 0 0 0 0 5 35 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 6 37 1 0 0 0 0 7 23 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$