IFLAB-ZINC04305446 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.4000 1.7070 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 0.3400 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -0.4810 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.0630 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 1.4370 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 2.2530 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 1.7470 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 0.3620 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -0.5680 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -0.9380 1.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0660 -0.0500 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -1.9680 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -3.0970 0.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -4.1040 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -4.1210 2.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -5.1870 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -5.2320 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -6.2450 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -7.2160 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -7.1760 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -6.1720 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -8.2180 -0.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0580 -9.1080 -1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -8.1850 0.2560 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5140 -1.5290 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -1.3000 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 -1.9560 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -2.7170 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 -2.6330 0.2900 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 2.3460 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -0.0870 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -1.5470 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 3.3210 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 2.4390 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 2.1470 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 0.2020 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 0.2590 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -2.3230 2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -1.5060 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -3.1200 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -4.4750 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -6.2820 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -8.0070 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -6.1450 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -0.6520 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 -1.8580 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -3.2990 0.9920 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 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 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END