IFLAB-ZINC05259422 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 1.3930 1.7540 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.1970 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 1.4630 2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 2.9010 3.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 3.7770 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 3.5140 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 3.3420 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 4.5870 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 4.9940 5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 4.1450 6.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 2.9340 6.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 2.5420 5.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 4.4720 8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 3.4640 9.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 3.7530 10.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 5.0630 10.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 6.0770 9.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 5.7860 8.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 5.4410 12.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 4.6060 13.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 3.3820 13.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 5.3000 14.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 4.7050 15.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 5.3250 16.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 6.5340 16.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 7.1140 15.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 6.5030 14.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 8.5980 15.4030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 0.6870 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 2.0350 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 2.3410 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 1.4740 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 0.1460 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 1.1200 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.8540 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 3.5850 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 4.8400 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 4.0520 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 3.8100 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 5.2620 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 5.9630 5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 2.4260 8.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 2.9260 10.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 7.1110 10.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 6.6080 8.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 6.4310 12.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 3.7580 15.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 4.8640 17.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 7.0120 17.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 6.9550 13.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 2.0320 1.2600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6420 1.7560 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 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 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END