IBS-ZINC00946722 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1020 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5370 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -1.9290 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -2.6740 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0290 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -2.7540 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -4.1770 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -2.6180 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -2.0010 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -3.0360 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -4.1900 0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 -5.0820 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -3.9170 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6130 -2.9180 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1320 -1.8220 -0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3800 -4.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7760 -3.9130 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5150 -4.9790 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9830 -4.8610 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5820 -3.6030 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9550 -3.4950 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7460 -4.6330 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1570 -5.8910 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7800 -6.0070 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9360 -7.0040 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1000 -4.5210 -0.2010 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 -2.3290 1.1810 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0410 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -3.7540 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -4.6310 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -4.5000 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -4.4830 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 -0.9440 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9660 -4.8990 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0540 -5.9520 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9680 -2.7150 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4160 -2.5220 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3220 -6.9820 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1340 -7.3890 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4650 -4.5510 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 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 39 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END