IBS-ZINC05048039 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -1.9200 1.7530 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 0.2650 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -0.4980 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -1.8490 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -2.6490 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -4.0210 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -4.5990 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -3.7960 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.4250 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.9890 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -6.8180 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -8.1960 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -8.9880 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -8.4050 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -7.0900 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -6.3050 -0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -6.5210 -0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -7.3720 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -6.5120 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -6.2210 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -5.4330 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 -4.9360 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 -5.2280 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -6.0210 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 -3.9460 -0.3150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -10.3650 -0.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -8.8050 -0.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9950 -8.9650 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -9.1460 0.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6130 2.3350 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 1.9290 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 2.0540 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.0360 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 0.0890 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -2.2000 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -4.6440 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -4.2450 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -1.8010 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -6.3730 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -5.5600 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -8.0740 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -7.9220 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -6.6080 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 -5.2050 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 -4.8400 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -6.2520 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -10.7830 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -10.9110 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 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 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END