IBS-ZINC05119872 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.1110 1.4640 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.0350 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.6010 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.9760 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.7850 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -2.2190 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.8440 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -4.2840 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -4.7950 -0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -6.1530 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -6.9750 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -8.2870 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -8.7910 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -7.8960 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -6.5960 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -8.3530 0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -7.8060 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -8.4410 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -8.1460 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -8.6840 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -8.0410 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5930 -8.8310 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -10.2430 0.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2600 -10.7340 1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -10.9480 -0.6910 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3980 -9.1400 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 1.8440 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 1.7260 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.9070 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.0320 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.4180 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -2.8510 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -0.4020 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -4.7260 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -4.5450 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -4.1820 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -8.0260 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -6.7260 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 -9.5190 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -8.0240 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -7.0700 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -9.7650 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -8.4390 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 -6.9600 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -8.4320 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0980 -8.4520 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2010 -8.6200 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 -9.9070 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -8.7820 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -10.0950 0.1390 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 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END