IBS-ZINC02221456 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.2320 0.8760 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 1.3050 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 3.1490 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 3.5170 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 5.0340 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 5.4120 -1.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 5.6040 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 5.9400 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 5.9830 -3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 5.6370 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 5.5300 -2.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 5.8150 -4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 5.7520 -4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 6.0320 -6.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 6.3820 -6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 6.4500 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 6.1730 -4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 6.2520 -4.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 6.1990 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 7.0500 -3.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9960 5.3660 -1.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 5.4560 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8530 4.5580 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6810 3.1900 -2.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 2.3020 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 5.4910 0.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.1800 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 1.2600 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 0.9900 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 1.6230 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.2250 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 1.8250 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 3.4780 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 3.5990 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 3.1130 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 3.0680 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 5.4590 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 5.5150 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 5.4790 -4.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 5.9760 -6.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 6.6050 -7.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 6.7270 -6.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 4.6360 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9180 5.1490 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 6.4970 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9110 4.7330 -3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2540 4.7640 -4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4080 2.4630 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 1.2770 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0970 2.4350 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 5.1760 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 5.7480 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 1.6490 1.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5340 1.3350 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 53 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END