IFLAB-ZINC04120102 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -2.6420 -0.5860 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.4600 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -0.1890 -2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.6020 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 1.9770 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 2.7810 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 2.2230 -3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 0.8600 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 0.0340 -3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.4270 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -2.1720 -2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -1.9370 -4.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -1.1620 -5.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -2.2460 -6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -3.5070 -6.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -3.2710 -4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -4.5480 -3.8840 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -6.0010 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -7.2480 -4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -7.7560 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -8.9000 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -9.5370 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -9.0300 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -7.8880 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -10.7620 -2.1060 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3770 -11.2090 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -11.3230 -1.3510 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8740 -1.1280 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -1.2860 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -0.0910 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.1600 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 1.0020 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 2.4190 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 3.8510 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 2.8610 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 0.4300 -4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.4940 -6.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -0.6000 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -2.1160 -7.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -2.2210 -6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -5.9390 -5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -6.0340 -5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -7.2590 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -9.2970 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -9.5270 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -7.4930 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END