IFLAB-ZINC00075255 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.4360 1.4820 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -0.0190 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -0.7280 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.1050 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.7740 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.0660 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1640 -4.6300 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -4.6800 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -4.1860 -0.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6250 -4.3180 1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -3.6440 -0.8060 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1690 -4.8870 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -5.6790 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -6.0240 -0.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -5.4640 -2.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -4.7610 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -4.0630 -2.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -5.6000 -3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -6.7880 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -6.9180 -4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -5.8670 -5.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -4.6830 -5.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -4.5440 -4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -6.0690 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.9310 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 1.8150 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 1.7860 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.2050 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -2.6580 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -2.5890 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.1360 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -5.7670 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -4.2500 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -4.5820 -3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -7.6090 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -7.8420 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -5.9710 -6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -3.8640 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -3.6170 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -5.3210 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -7.0390 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -6.1280 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END