IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.8250 -2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.7920 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 1.5960 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 1.9520 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 1.8960 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 2.3440 -1.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.2860 -2.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6410 3.2780 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 1.3280 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 1.6240 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.7450 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -0.4300 -5.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -0.7270 -4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 0.1500 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 2.7460 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 2.7640 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 3.1610 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 3.5470 -3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 3.5290 -4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 3.1360 -3.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8920 3.9730 -4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 3.9880 -4.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 1.2050 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 2.5430 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 0.9770 -6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -1.1160 -6.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -1.6450 -4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -0.0830 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 2.4640 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 3.1740 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 3.8270 -5.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 3.1260 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.6620 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7780 4.3460 -5.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5880 4.6170 -6.3770 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 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END