IBS-ZINC05454220 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.1300 1.5090 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.0210 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.4960 -1.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0930 -0.0620 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -0.0550 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.0000 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -2.6040 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -3.9810 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -4.7590 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -4.1490 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -2.7720 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -6.1550 -1.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -6.7680 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -6.1180 -3.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -8.2600 -2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -8.7780 -4.5120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -10.5130 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -11.1280 -3.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -11.2210 -6.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -12.4580 -3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -12.6630 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -11.4160 -5.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -13.9460 -5.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -14.9880 -4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -14.7190 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -13.4930 -2.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -16.6150 -4.8710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.8980 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.8700 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.8470 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -0.3820 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -0.4100 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.0320 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -0.4900 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -0.3940 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -1.9980 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -4.4530 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -4.7520 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -2.2960 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -6.6810 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -8.7610 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -8.5270 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -14.1290 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -15.5310 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END