BJ69QM -OEChem-04042105283D 44 48 0 0 0 0 0 0 0999 V2000 0.1759 2.2514 -0.0007 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2996 -2.9363 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5871 -2.1781 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 1.1212 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6029 2.9437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 3.3582 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 -1.5786 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 -0.2294 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 0.2252 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7005 -1.1458 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 0.6718 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 -0.6932 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2287 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 0.4717 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 -0.1153 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -0.1152 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 0.1130 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.1133 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0205 0.1963 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9672 1.1140 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6927 -3.3094 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 1.6379 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1152 0.6098 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -1.7732 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 2.2617 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4911 0.3806 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0940 -2.0025 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 -0.9255 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 -1.0759 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.0006 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 0.0005 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -0.2017 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 -0.2015 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 0.2011 2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 0.2016 -2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0509 0.5331 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2034 2.1759 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8938 -3.9151 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8934 -3.9162 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 1.6344 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 -2.6242 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 1.2191 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 -3.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 -1.1040 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 12 29 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$