IFLAB-ZINC04134540 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.3090 1.9190 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 0.5500 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.3030 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 0.2110 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 1.5790 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 2.4330 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -0.7200 -0.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3100 -1.6990 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -0.8560 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -1.5650 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.0220 1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 -0.1780 -1.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 -1.2000 -2.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 -0.3760 -2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -2.2130 -1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -1.9950 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -1.4270 -4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -2.0500 -5.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -3.2430 -4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -3.8110 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -3.1900 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -5.0870 -3.0610 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4430 -5.5870 -1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -5.6360 -3.7750 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2230 -4.0260 -5.7170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 2.5860 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 0.1480 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -1.3720 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.9810 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 3.5020 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -1.4310 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 0.1340 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 0.7800 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -0.4960 -4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.6060 -6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -3.6350 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -1.6880 3.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -2.1500 4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END