IFLAB-ZINC04504015 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0620 1.5020 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.7140 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -2.0940 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.7710 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.0560 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.6750 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.7860 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -4.8480 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -4.2510 2.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -6.3490 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -6.9610 2.8180 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -8.6900 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -9.5320 3.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -10.8430 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -11.7390 4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -13.0750 4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -13.5280 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -12.6480 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -11.3140 2.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -10.4410 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -10.8440 -0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -9.1400 1.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -11.2320 5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.8810 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.8720 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 1.8430 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.1870 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -2.6470 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -0.1190 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -2.9780 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -2.1760 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -3.7330 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -4.6510 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -6.7880 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -6.6280 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -13.7780 4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -14.5840 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -13.0070 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -11.2020 6.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -11.8990 6.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -10.2300 5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END