L3OT9V -OEChem-05022323432D 42 45 0 0 0 0 0 0 0999 V2000 11.5619 -2.1606 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 2.1695 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 -2.1606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 2.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6959 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4279 -2.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 2.9742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 1.3648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0619 -3.0266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0619 2.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5619 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6709 3.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 3.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 2.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 1.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9419 -0.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3719 0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1819 -0.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3719 -3.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4419 -3.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 25 2 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 20 2 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 27 2 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$