IBS-ZINC02138486 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.6520 -0.2580 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0890 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.8510 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.6420 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.3480 -1.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4400 -0.7630 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -0.9760 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -0.2850 -1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.1010 -1.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 1.6840 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 1.6240 -2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 0.8950 -3.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 3.1140 -2.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5060 3.6100 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 3.6050 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 5.1310 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 5.7130 -1.5790 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 7.5140 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 3.4270 -4.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 4.2250 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 4.6850 -4.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 4.5250 -6.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 5.3390 -7.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 5.5880 -8.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 5.0350 -9.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 4.2270 -8.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 3.9640 -7.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 3.1570 -6.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 2.7630 -6.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 2.9110 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 2.1940 -4.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 0.0550 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.3540 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.3050 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.9690 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -1.9090 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -0.7300 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -0.4570 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -1.7190 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.1680 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 3.1770 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 3.2940 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 5.5580 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 5.4420 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 7.9770 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 7.8820 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 7.7650 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 5.7720 -6.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 6.2190 -8.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 5.2380 -10.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 3.8000 -9.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.3040 -1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -2.6610 -1.3000 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 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 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 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 52 53 1 0 0 0 0 M END