IBS-ZINC04954907 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 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 -0.7960 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1310 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0740 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7840 -1.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.2580 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -3.6800 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -4.8640 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -5.9490 -2.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -7.0500 -3.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -8.1520 -3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -8.3640 -1.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -9.5250 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -9.7630 -0.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -10.5300 -2.8400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2490 -11.4160 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -9.6340 -4.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -10.9140 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -12.0040 -4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -13.3300 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 -14.3320 -5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -14.0060 -6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -12.6750 -6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -11.6770 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -14.9900 -7.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -14.5810 -8.6080 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 0.0290 -0.4750 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.0250 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.9860 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.0870 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -3.9520 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -2.8510 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -4.8070 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -7.6590 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -11.2700 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -10.0420 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -13.5830 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -15.3680 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -12.4190 -7.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -10.6400 -6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -13.9940 -8.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -13.9750 -8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -15.4610 -9.2390 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END