B5VUY0 -OEChem-04022107122D 42 44 0 1 0 0 0 0 0999 V2000 6.7619 -1.0306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -1.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 2.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 2.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.8966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.1645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7619 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 1.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9519 -2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8819 -1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 5 26 2 0 0 0 0 6 27 1 0 0 0 0 6 42 1 0 0 0 0 7 27 2 0 0 0 0 8 13 2 0 0 0 0 8 16 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 16 23 2 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$