IFLAB-ZINC05257688 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 0.6620 1.5510 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 0.1820 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.1660 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -1.4280 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -2.3530 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -2.0210 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.7470 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.8940 -2.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -4.1840 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -4.8050 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.8370 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -6.3390 -3.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2320 -6.5280 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -6.9210 -4.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -7.6150 -5.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -8.1720 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -8.8060 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -10.0260 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -10.6630 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -11.8900 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -12.5160 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 1.5200 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 2.2270 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.9580 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.5450 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -1.6950 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -3.3220 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -0.4630 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -2.5180 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -4.6500 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -4.3490 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -7.8000 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -8.8710 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -8.0680 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -9.1050 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -10.7630 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -9.7280 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -9.9250 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -10.9540 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -12.6260 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -11.6000 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -11.8290 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -12.8690 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -6.6510 -5.4130 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8450 -7.0100 -2.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4000 -6.2970 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -7.3510 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -13.6990 2.2480 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4820 -14.1480 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -13.4440 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -14.4100 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 1 M CHG 1 48 1 M END