IBS-ZINC02258827 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 49 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2210 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 2.1240 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 3.5500 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 4.1650 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6240 3.5700 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 5.6880 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 4.9740 -1.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.1620 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.9220 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -4.1590 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -4.2380 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -2.9780 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -5.4790 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -5.4130 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -6.5740 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -7.8050 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -7.8810 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -6.7220 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -9.0940 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -10.2480 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -11.5100 -0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3300 -11.4160 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -12.8610 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -12.3950 1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.4860 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1670 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.8780 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 3.8690 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 6.2610 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 6.1040 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -4.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -6.5220 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -8.7110 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -6.7800 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -10.2420 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -10.2340 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -12.8580 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -13.6630 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 13 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 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 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 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END