IBS-ZINC02102778 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.6760 2.3260 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 0.9900 -0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 0.3000 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 0.8980 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 0.2010 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 -1.0880 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -1.7100 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.0070 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -1.5960 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.4450 2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -3.0690 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -3.8760 1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -3.2910 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -2.0980 -0.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1350 -1.7130 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -2.4200 -1.5570 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8020 -3.1020 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -2.5590 -2.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -4.3350 -2.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -4.7910 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -4.9480 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 -6.0570 -3.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 -4.4280 -1.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -3.2030 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1180 -2.7440 -0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4280 -5.1770 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4430 -5.0630 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6010 -5.8030 -2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7500 -6.6560 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7410 -6.7720 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -6.0390 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 2.7610 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 2.3120 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 2.9230 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.9110 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 0.6720 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.8710 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.9620 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -0.3860 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -1.4790 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3280 -4.3970 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3910 -5.7150 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6560 -7.2340 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8600 -7.4390 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 -6.1330 0.0060 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 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 41 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 30 44 1 0 0 0 0 31 45 1 0 0 0 0 M END