IBS-ZINC04674820 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0820 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7700 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0690 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1290 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.7710 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -6.2660 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.7350 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -7.0810 -2.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -8.4710 -2.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -9.2640 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -10.7450 -3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -11.7020 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -13.0430 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -13.4310 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -12.4880 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -11.1330 -4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -10.0000 -5.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -8.8750 -4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -7.7380 -4.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -10.0300 -6.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -10.0600 -7.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -10.0910 -8.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -11.3010 -9.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -11.3290 -10.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -10.1460 -11.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -8.9350 -10.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -8.9080 -9.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6020 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1420 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -4.4880 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -4.4630 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -6.7050 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -11.3980 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -13.7890 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -14.4820 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -12.8040 -5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -9.1400 -7.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -10.9190 -7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -10.9500 -6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -9.1710 -6.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -12.2250 -8.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -12.2750 -11.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -10.1680 -12.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -8.0110 -11.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -7.9620 -8.8700 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 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 41 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END