LJ37QE -OEChem-05022321282D 42 44 0 0 0 0 0 0 0999 V2000 8.6613 1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.4121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8574 1.9288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1254 1.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 2.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 2.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -1.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 -0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5355 -0.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2675 -0.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6673 0.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 3.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3861 2.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5891 2.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3931 2.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8598 1.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 2 31 1 0 0 0 0 3 23 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 24 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 24 2 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 25 1 0 0 0 0 10 13 2 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 11 27 1 0 0 0 0 12 15 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$