IFLAB-ZINC04939634 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -1.1350 1.5230 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 0.0640 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.6130 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -1.9670 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -2.6720 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -1.9890 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.6270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.6610 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.0470 0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -4.8860 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -4.6170 2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -6.3100 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -7.0750 2.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1710 -6.5830 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -8.5510 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -9.2880 3.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -7.0180 4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -6.7370 5.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -7.4490 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -7.7300 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -7.4450 5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 2.1220 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.7770 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 1.7950 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -0.0930 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -2.4380 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.0950 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.4860 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.9680 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -3.0400 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.4550 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -6.8140 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -6.2850 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -6.3050 4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -8.0370 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -6.9480 6.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -5.6990 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -6.4200 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -8.1480 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -8.7780 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -7.4990 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -6.4160 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -7.6510 6.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -8.1580 5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -8.8400 0.9820 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9230 -6.8640 3.2370 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1700 -5.8540 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -7.6340 5.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7460 -8.6130 5.2370 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 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 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 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 15 16 2 0 0 0 0 15 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 17 46 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 48 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 19 48 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 46 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 48 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 -1 M CHG 1 46 1 M CHG 1 48 1 M END