IBS-ZINC02422161 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 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 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -5.0760 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -5.3280 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -5.7570 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -6.0640 -1.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -5.9820 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 -6.3090 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -6.2240 -5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -5.8170 -5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -5.4940 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -5.5680 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -5.2510 -2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -5.7360 0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -5.3330 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -5.2040 2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -6.0910 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -7.5640 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -8.0080 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -9.3580 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -10.2680 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -9.8200 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -8.4690 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -11.5960 2.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -12.4760 1.9930 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -6.6260 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -6.4770 -5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -5.7580 -6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -5.1800 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -4.9110 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -5.4070 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -5.5200 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -5.8620 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -7.2990 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -9.7040 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -10.5270 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -8.1190 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -13.5040 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -12.2180 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -12.3740 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 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 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 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 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 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 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END