IFLAB-ZINC04496975 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.4510 1.7390 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 0.2410 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -0.5570 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -1.9300 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -2.5100 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -1.7060 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.3330 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -3.9010 -0.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -4.8440 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -6.2170 -1.3040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0450 -7.0180 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -6.0400 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -4.5450 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -4.0060 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -6.4640 -1.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -7.7280 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -8.6630 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -7.9760 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -6.9060 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -7.1450 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -8.4420 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -9.5080 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -9.2830 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -10.4450 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -10.8920 -0.5750 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4120 -11.1010 -0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -11.8220 -0.4780 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4980 2.0420 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 2.2120 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 2.0460 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.1050 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -2.5520 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.1540 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 0.2920 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -4.5550 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.8790 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -6.5520 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -6.4110 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -5.7170 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -5.8930 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 -6.3180 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -8.6240 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -10.6690 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -11.3170 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -10.1880 -1.5000 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 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