IFLAB-ZINC04087086 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.2060 1.3470 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.1530 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -0.5060 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.1650 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.5600 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.8520 -3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -0.7140 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -0.0980 -3.1380 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -1.3250 -4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -2.1990 -4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -3.2970 -5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -3.6690 -5.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -3.8600 -5.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -1.4210 -5.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -0.5640 -5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 0.4870 -4.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -0.9760 -6.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 0.0260 -7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0330 -0.3240 -8.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 -1.6610 -8.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 -2.6530 -7.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 -2.3210 -6.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0690 -4.3070 -7.8550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 0.9090 -8.9580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -0.0820 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 1.9320 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.5950 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 1.6760 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -0.6660 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 0.0290 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.2290 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -1.5790 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -2.5240 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.5630 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -3.6450 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.3060 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -3.5560 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -4.6310 -6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -2.2300 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 1.0750 -6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0650 -1.9280 -9.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -3.1150 -6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.2940 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 0.9980 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.6430 -1.0450 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2160 -0.2910 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END