IBS-ZINC04808216 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.1590 1.3320 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0850 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -0.6140 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 0.1140 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -0.5270 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -1.9240 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -2.6810 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.0140 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -4.0280 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -4.0910 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -2.8070 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -2.5410 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -5.3120 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -5.3830 -0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -6.4250 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -6.2780 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -5.1690 0.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -7.7520 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -8.1880 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -10.1380 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -11.5430 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -11.5320 -2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 -11.0790 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -9.6480 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 1.5870 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 1.7290 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 1.7930 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 1.2000 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 0.0500 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.5860 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -7.2330 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -8.4780 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -7.7160 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -7.5110 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -8.2180 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -10.1520 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 -9.4460 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 -11.9170 -3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 -12.2430 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7380 -11.1130 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -11.7700 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8100 -8.9510 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -9.3340 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -9.5860 -1.4190 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1670 -10.2110 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END