IBS-ZINC04311701 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 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 0.0180 -2.8290 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -4.2220 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -5.0920 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -6.4600 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -7.3420 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -6.8640 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -5.5020 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -4.6150 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -7.8120 -0.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7960 -9.0120 -0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -7.3920 -0.1300 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8560 -3.6510 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -2.6520 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -3.3380 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2500 -4.1140 2.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -3.0110 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0920 -3.3860 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8690 -3.0740 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3180 -2.3930 -1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 -2.0150 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1900 -2.3160 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -1.9340 -0.8150 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 -2.5220 -3.7440 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -2.5800 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -2.5970 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -6.8330 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -8.4070 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -5.1310 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -3.5520 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -3.2100 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -1.6330 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5200 -3.9170 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9100 -3.3610 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9340 -2.1560 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -1.4860 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 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 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END