IFLAB-ZINC04519026 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.6320 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.7300 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -4.1950 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -4.7250 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5140 -4.3640 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -6.2310 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -7.0200 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -8.3560 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -8.3040 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -7.0140 0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -4.1400 1.5070 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -4.6620 2.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -2.7560 1.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4060 -4.9370 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -6.1720 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8050 -6.7970 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -6.1880 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7040 -4.9530 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4730 -4.3250 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2140 -6.8700 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -2.2570 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -4.5460 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -4.5560 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -6.6960 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -9.2480 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -9.1550 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 -6.6480 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 -7.7620 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5370 -4.4770 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 -3.3580 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7980 -6.5730 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7410 -6.5790 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0720 -7.9510 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END