IFLAB-ZINC04941782 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 2.1410 2.2210 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 2.0130 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 2.1120 2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 3.4230 2.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 3.9240 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 3.7960 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 4.0740 3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 3.7290 5.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 5.3260 4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 5.3790 3.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 6.2400 4.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 7.4850 5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 8.1860 4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 9.4710 5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 9.6210 6.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 8.3530 6.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 8.0860 7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 9.1530 7.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 8.9330 8.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 7.6520 9.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 6.5910 8.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 6.8060 7.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 7.3830 10.6280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 10.4990 4.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 9.5980 3.6580 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 7.9690 3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 1.1780 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 2.8950 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 2.4580 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 2.7010 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 0.9880 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.3730 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 1.8720 3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 3.3390 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 4.9740 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 3.9990 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 4.4800 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 5.9540 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 10.1640 7.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 9.7660 9.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 5.5970 9.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 5.9690 7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 10.8630 5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 11.3370 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 7.7470 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 7.1990 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 2.3900 0.3100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3770 1.7390 0.1160 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 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 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