IFLAB-ZINC05251502 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.5020 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.7050 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.0870 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7690 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.0680 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2760 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7840 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -6.1120 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -6.8870 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -6.6300 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -5.8540 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -7.9580 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 -8.4440 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -7.7490 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 -8.2320 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -9.4070 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -10.1010 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -9.6260 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -11.3570 1.6510 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4090 -11.7790 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -11.9690 2.1580 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8660 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8520 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.1730 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.6350 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.6000 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -4.6240 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -4.6390 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -4.1640 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -8.5770 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -6.8320 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -7.6920 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 -9.7820 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -10.1710 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 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 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END