IBS-ZINC04785898 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -5.0760 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -5.3270 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -5.7570 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -6.0630 -1.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -5.9810 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 -6.3080 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -6.2220 -5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -5.8150 -5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -5.4920 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -5.5670 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -5.2500 -2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -5.7360 0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -5.3340 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -5.2050 2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -6.0920 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -7.5650 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -7.9700 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -6.6250 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -6.4740 -5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -5.7550 -6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -5.1780 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -4.9120 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -5.4080 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -5.5210 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -5.8630 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -8.2870 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -9.0250 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -7.2470 4.0350 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END