B6V5LQ -OEChem-04022101392D 44 46 0 1 0 0 0 0 0999 V2000 7.6651 1.0590 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 0.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 2.8181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.1916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 0.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 0.8809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 1.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -3.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 0.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 0.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 0.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 2.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 3.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 3.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4869 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 6 0 0 0 3 32 1 0 0 0 0 13 4 1 6 0 0 0 4 33 1 0 0 0 0 5 25 1 0 0 0 0 5 44 1 0 0 0 0 6 25 2 0 0 0 0 15 7 1 1 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 17 2 0 0 0 0 9 24 1 0 0 0 0 10 23 1 0 0 0 0 10 24 2 0 0 0 0 22 11 1 6 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 1 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$