IFLAB-ZINC04504035 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5070 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.6730 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.0740 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7560 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -2.0950 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.7260 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -0.0920 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -0.7900 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -2.1210 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.7810 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -4.0000 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.0590 0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -1.3530 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -0.8540 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 0.3370 0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6280 -1.7330 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9470 -1.2730 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3210 -0.0700 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6200 0.3840 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5530 -0.3630 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1830 -1.5670 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8830 -2.0270 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5200 -3.2100 1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5330 -3.9300 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8300 0.0860 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1420 1.3340 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.8850 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8690 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.8570 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -0.1290 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -2.6120 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.8360 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -1.9520 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -1.9640 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 -2.6840 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 0.5140 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9100 1.3210 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9100 -2.1480 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3510 -4.1680 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1120 -4.8520 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9090 -3.3180 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5140 2.1180 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9580 1.2610 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1900 1.5750 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END