IBS-ZINC01160123 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.2740 2.3190 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 0.8260 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 0.0850 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.2840 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -0.2840 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -0.7820 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -0.7120 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -0.1360 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 0.3530 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -1.2410 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -1.1710 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 -1.6970 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1830 -2.1970 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 -1.6270 2.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7450 -2.1120 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3820 -2.8150 0.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.5020 -2.0420 3.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8380 -2.4360 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3720 -3.1850 4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6900 -3.5770 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4950 -3.2210 3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9560 -2.4670 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6350 -2.0750 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9490 -2.0220 0.6080 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -15.9080 -3.6390 2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6060 -3.3280 2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.7100 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.8460 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 2.4630 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 0.6810 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.9790 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 0.4770 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 0.2290 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -0.3380 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -1.2260 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -0.0780 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 0.7940 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -1.6850 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -0.7270 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1270 -1.2290 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1160 -1.7180 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7500 -3.4600 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1030 -4.1580 4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2180 -1.4900 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4260 -4.3640 3.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3570 -4.6150 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 45 46 1 0 0 0 0 M END