IBS-ZINC06664158 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3890 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 1.1780 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.6550 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 0.0750 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.4820 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 2.1500 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4360 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1070 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 -0.6280 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -1.8430 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 0.0780 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 -0.6190 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 0.3920 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 1.5780 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9380 -0.0220 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 0.9510 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9880 0.6290 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4350 -0.8300 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2190 -1.7520 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -1.4550 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4010 -1.1440 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5400 -1.8510 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1580 -1.9390 3.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9990 -2.3860 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3790 -1.2850 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3290 -0.8140 3.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9660 -2.4040 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7480 -2.3740 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.7350 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 2.0360 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 3.2300 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 3.1860 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 1.0480 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -1.2480 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 -1.2390 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 0.8860 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6370 1.9570 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 1.2810 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4720 0.7860 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5450 -2.7910 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7080 -1.5800 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3490 -2.0370 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7390 -1.7190 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5880 -1.1710 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7650 -1.7890 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3140 -3.4300 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0680 -2.5800 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0300 -3.1310 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1160 -1.0480 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4800 -0.9180 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 54 55 1 0 0 0 0 M END