B3D1FI -OEChem-04022106162D 43 46 0 0 0 0 0 0 0999 V2000 2.8660 3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.6953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -2.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -2.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -0.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 -2.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0765 -2.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0765 -0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 -0.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 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 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$