DR1828 -OEChem-05042004202D 52 53 0 0 0 0 0 0 0999 V2000 5.3084 2.1799 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6921 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8994 0.7799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.6680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -4.6680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1562 0.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8961 1.3709 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 6.3961 -1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 3.0934 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 9.8504 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 3.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 3.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -4.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 4.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7978 4.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -4.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -4.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -4.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8313 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8652 -0.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6448 -0.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 -1.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 -1.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9975 0.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6588 -0.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0420 1.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5626 2.3645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 1.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 4.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -2.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 2.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 5.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3347 4.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -4.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -5.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 28 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 5 21 2 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 2 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 25 2 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 47 1 0 0 0 0 23 27 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 3 1 2 10 -1 14 -1 M END $$$$