IFLAB-ZINC04043731 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -1.2520 1.1780 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.1620 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -0.8620 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -2.0920 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.6250 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -1.9300 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.6980 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.0060 -2.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.6560 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -1.8690 -3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 0.1090 -4.8770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7110 0.7840 -4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 0.9200 -4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.8070 -5.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.3320 -7.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 0.9570 -7.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 1.4380 -8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.6350 -9.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.6510 -9.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -1.1340 -8.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.5320 -8.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 1.2410 -11.1130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.8390 2.4620 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3640 -2.3700 3.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -3.9220 2.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5330 1.9650 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 1.3320 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 1.2060 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.4480 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -3.5860 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -2.3470 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 0.9710 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 1.4740 -5.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 1.6190 -4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 0.2450 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 1.5840 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 2.4410 -8.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -1.2770 -10.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -3.2280 -7.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -2.8070 -9.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -2.5730 -7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END