IFLAB-ZINC02457970 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.8320 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 0.0610 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -2.1210 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -1.0640 -1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -0.0650 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 -0.7580 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -1.9670 -3.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -2.9660 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -2.2760 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -2.2000 -5.2270 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -3.0920 -5.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -0.9110 -5.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 -3.0590 -5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9270 -4.4420 -5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 -5.1190 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -4.4090 -5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 -3.0200 -5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 -2.3500 -5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -5.0900 -5.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 0.3670 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 0.7200 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.0840 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -1.0330 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -3.7510 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -3.3990 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -2.9510 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -2.0050 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 -4.9930 -5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 -6.1990 -5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2310 -2.4650 -5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 -1.2700 -5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 -6.0600 -5.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3780 -4.5940 -5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 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 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 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 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END