IBS-ZINC05111430 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 0.5840 1.6560 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 0.1820 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.4190 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -1.8020 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.6290 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.0090 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.6270 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.0650 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -4.7170 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -4.1340 -2.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -6.2030 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -6.9410 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -6.2920 -3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -8.3420 -2.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -9.2390 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -10.6810 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -11.6050 -4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -13.9960 -4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -15.4460 -4.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -15.6900 -4.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -14.8730 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -13.3840 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -6.8980 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -8.1070 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -6.0900 1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -4.7410 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -4.2600 2.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 1.8580 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 2.0470 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 2.2010 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 0.1820 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -2.1980 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.5880 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.1910 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -5.3370 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -6.9090 -4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -6.1450 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -8.7580 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -8.9210 -4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -9.1950 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -11.0100 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -10.7170 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -11.3470 -5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -11.5450 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -13.7920 -5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -13.7480 -5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -16.1170 -5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -15.7030 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -15.1200 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -15.1250 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -13.1240 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -12.7700 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -6.5490 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -13.0570 -3.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3020 -13.2530 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END