IFLAB-ZINC04315899 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.0020 1.5030 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.6960 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -2.0770 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.7710 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.0720 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -0.6910 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 0.0680 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1680 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -4.8460 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -4.2490 2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -6.3340 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -6.9320 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -7.0130 2.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -8.4720 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -8.9890 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -10.7920 3.6760 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -11.1070 5.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -12.3340 5.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -13.1840 5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -12.1450 7.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -10.8110 7.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -10.2000 6.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -10.1390 8.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -8.7520 8.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -8.1320 10.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -8.8840 11.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -10.2600 11.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -10.8910 10.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 1.8550 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 1.8740 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 1.8700 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.1570 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -2.6170 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.6080 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.2400 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -0.5120 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.0260 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -4.6500 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -6.5350 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -8.9100 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -8.7510 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -8.5510 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -8.7100 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -12.9130 8.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -8.1650 8.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -7.0580 10.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -8.3940 12.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -10.8410 12.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -11.9660 9.9900 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 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 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END