IFLAB-ZINC03864919 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -0.6290 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 0.0340 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -0.6280 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 0.0920 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 -0.5720 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 -1.9710 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 -2.6900 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -2.0280 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 -2.6340 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 -3.6530 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 -4.3670 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 -5.4600 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3960 -6.1240 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4060 -5.7140 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 -4.6370 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 -3.9590 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6160 -7.2800 2.4040 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7300 -7.6420 3.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6820 -7.8690 2.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7610 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9920 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 1.1720 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 -0.0160 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1320 -3.7700 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -2.5830 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -3.9720 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4060 -5.7820 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3490 -6.2410 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0070 -4.3240 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 -2.9040 -1.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0700 -2.0520 -0.6420 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END