IFLAB-ZINC05152902 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.5620 2.6600 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.3160 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 0.4070 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 0.8350 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 2.1750 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 3.0870 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 2.6860 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 1.6340 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -0.1920 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 -0.6090 -0.3500 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9570 -0.2310 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -1.9550 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -1.7590 -2.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -2.8130 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -3.9260 -2.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -2.6160 -4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -1.3400 -5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -1.1620 -6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -2.2460 -7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -3.5140 -6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -3.7060 -5.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -4.6680 -7.3100 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6610 -4.5010 -8.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -5.7840 -6.8230 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4290 -0.7900 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 -0.7560 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -0.9700 3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -1.1210 3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -1.0050 2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 3.3740 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 0.9770 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.6430 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 4.1380 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 2.9030 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 3.5990 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 1.9310 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 1.5380 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -0.4730 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -1.0740 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 -2.6380 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -2.3750 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -0.8710 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -0.4920 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.1750 -6.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -2.1020 -8.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -4.6970 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 -0.5970 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 -1.0050 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -1.3010 4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 0.3490 -0.4770 N 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 36 1 0 0 0 0 8 37 1 0 0 0 0 8 50 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 50 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 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 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 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END