IBS-ZINC02130020 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.3920 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.9100 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -2.2370 -2.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6850 -1.7310 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -3.7260 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -4.3440 -4.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -1.7830 -4.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.4910 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -1.6040 -5.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.0230 -6.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1830 -0.1030 -6.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -2.1010 -6.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -1.5850 -7.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -1.0060 -7.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -0.6670 -9.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -0.2360 -9.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -1.0300 -10.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -1.6160 -9.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -2.0790 -10.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.9580 -11.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -1.3780 -12.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.9210 -11.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -0.7740 -7.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 0.4640 -8.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.3690 -7.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 0.6880 -9.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.9350 -9.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 2.0930 -10.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 1.0210 -11.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -0.2200 -10.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -0.3980 -9.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.6280 -9.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -2.3860 -9.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -1.7780 -8.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.8710 -7.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.0240 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 0.0400 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.3260 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.3420 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.6920 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -2.9920 -7.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -2.3500 -5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -0.8320 -6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.5310 -9.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.3170 -12.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -1.2900 -13.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -0.4700 -11.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 2.7710 -9.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 3.0580 -11.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 1.1580 -12.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -1.0490 -11.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -4.3650 -2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -5.3200 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 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 57 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 57 58 1 0 0 0 0 M END