B9V1IQ -OEChem-04012116162D 42 46 0 0 0 0 0 0 0999 V2000 9.1563 -2.7272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 -0.3660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.2272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 -1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 -1.9752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 -1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3820 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5576 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3765 0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9643 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 2.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 2.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 -2.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6287 0.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5809 -0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 20 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 39 1 0 0 0 0 27 29 1 0 0 0 0 27 40 1 0 0 0 0 28 29 2 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$