OTAVA-ZINC04012718 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.0550 1.2310 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.1040 -0.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.7510 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 0.0270 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.3920 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 2.0650 -0.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 1.8940 -0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 0.8390 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.3030 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 3.2850 -0.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0240 3.8800 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 3.7640 -1.8090 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4810 4.0820 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 5.0220 -1.3920 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4840 5.8840 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 4.7140 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5280 5.5710 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 3.6190 0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 4.3260 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 4.1340 1.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 3.5650 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 5.3060 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 4.4130 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 2.9400 -2.4040 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2330 -2.1210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.8650 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -4.3500 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -5.1260 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -6.6330 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -7.0840 0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 1.6920 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 0.9680 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 3.3860 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8190 5.1100 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.5670 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -2.4950 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -2.7260 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -4.7290 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -4.5000 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -4.7390 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -4.9690 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -7.2470 0.2660 O 0 5 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 31 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 30 2 0 0 0 0 29 42 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 42 -1 M END