IFLAB-ZINC05183306 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.1620 1.8730 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 0.3770 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.0640 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -1.3720 0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.2080 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -1.8420 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -2.8210 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -4.1590 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -4.5520 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -3.5650 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -3.7880 0.7520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.0300 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.4580 0.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -2.2520 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -2.8950 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -2.2740 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -3.0980 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -3.1390 4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -2.3630 5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -1.5390 4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -1.4940 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -2.5010 6.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -1.7330 7.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -5.4120 -0.1510 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -6.5900 -0.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -4.8460 -1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -5.5230 1.3240 N 0 5 0 0 0 0 0 0 0 0 0 0 4.4950 -5.8860 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 2.2880 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 2.0740 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 2.3990 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.0140 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -0.1220 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 0.4770 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.5760 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -0.8130 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -2.5390 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -5.5910 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -3.7140 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -3.7840 4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -0.9190 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.8420 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -2.0090 7.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -0.6600 7.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -1.9570 8.4490 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END