IFLAB-ZINC04139552 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -1.5660 -1.9860 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.9710 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.3630 2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.9020 3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -3.0940 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.6130 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.4440 4.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8100 -3.5020 4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -1.7460 5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -2.3430 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -1.4160 5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -0.1350 5.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -0.0540 5.5730 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -2.4210 6.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1210 -1.4040 6.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -3.3690 5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -2.8780 7.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -1.9960 8.8390 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -2.7030 9.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -0.5980 8.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.1840 9.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -3.3540 9.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -3.5060 10.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -2.4960 10.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -1.3140 9.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.1540 9.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -2.6500 10.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.2850 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -1.5520 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -2.8840 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.7310 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.0540 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 0.3900 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 0.0660 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.0640 4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.2260 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -3.5940 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -3.8490 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.2290 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -3.4360 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -3.4040 5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -1.6780 5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 0.7590 6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -4.3930 5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -3.4010 6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -3.0640 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -3.7800 7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -4.1460 10.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.4170 10.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -0.5090 9.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.2290 8.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -2.2620 11.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -2.1090 9.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -3.7030 10.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.4890 1.2090 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4120 -1.8580 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -1.9980 3.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 55 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 57 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 57 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END