IFLAB-ZINC04376841 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1010 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0230 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.1710 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -4.6520 -1.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -5.9750 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -6.7670 -0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -6.4700 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -8.2830 -3.0600 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -8.6710 -4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -7.8090 -5.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -8.4280 -6.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -9.7300 -6.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -9.9160 -5.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -11.2060 -4.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -12.2540 -5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -12.0960 -6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -10.8540 -7.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -13.6100 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -13.9100 -3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -15.3140 -3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -15.7980 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -14.7660 -5.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0300 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -2.4300 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.6000 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -4.5720 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -4.5000 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -4.0190 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -6.0690 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -6.1410 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -12.9660 -7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -10.7300 -8.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -13.2070 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -15.8940 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -16.8420 -5.1060 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 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 M END