IFLAB-ZINC02722050 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.6030 1.6060 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.1030 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.6540 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.0300 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.6600 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.8900 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -0.5140 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 0.3030 -1.4750 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4180 -0.1110 -2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 1.4460 -1.0960 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9930 -4.1330 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -4.6780 -0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -4.8740 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -6.2120 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -7.0280 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -8.3200 2.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -9.1020 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -8.3120 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -7.0660 0.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2590 -6.8120 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -7.8140 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -9.1250 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -9.3720 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -6.5780 3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -7.1900 4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -6.5320 6.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -5.4300 5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -5.1770 4.3450 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 2.0060 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 2.0040 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 1.8960 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -0.1660 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -2.6200 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -2.3700 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -4.4460 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -5.7960 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -7.5920 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -9.9330 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -10.3790 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -8.0720 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -6.8490 7.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -4.8020 6.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 19 1 M END