IBS-ZINC00526194 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1690 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -5.0220 -1.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9450 -4.8220 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -6.4410 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -7.7930 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -8.4640 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -7.6660 1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -7.9400 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.3730 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.9620 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.5650 2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -8.3850 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -4.7790 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -4.7680 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -4.5450 -4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -4.3340 -3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -4.3460 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -4.5740 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -4.0940 -4.3120 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6400 -4.0830 -5.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -3.9080 -3.7520 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6240 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -8.5120 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -9.3530 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -7.7160 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.9330 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -4.5350 -5.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -4.1810 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -4.5870 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 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 19 1 0 0 0 0 13 14 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 17 18 2 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END