IFLAB-ZINC04941812 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 2.3220 2.2810 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 2.0250 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 2.1070 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 3.4240 2.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 3.9580 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 3.8450 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 4.0500 4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 3.6690 5.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 5.3280 4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 5.4090 3.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 6.2290 4.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 7.4840 5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 8.2130 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 9.4880 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 9.6070 6.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 8.3320 6.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 8.0270 7.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 9.0520 7.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 8.7740 8.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 7.4840 9.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 6.4770 8.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 6.7400 7.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 4.8950 9.3910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 10.5390 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 9.6790 3.6820 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 8.0290 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.2350 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 2.9450 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 2.5430 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 2.7030 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 1.0000 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.3810 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 1.8390 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 3.3860 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 5.0080 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 4.0710 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 4.5190 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 5.9200 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 10.0680 7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 9.5690 8.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 7.2760 9.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 5.9460 7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 10.8970 5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 11.3780 4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 7.8050 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 7.2710 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 2.4350 0.4050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4950 1.7950 0.1440 H 0 0 0 0 0 0 0 0 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 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 47 1 0 0 0 0 3 4 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 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 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END