IBS-ZINC02196008 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.2790 1.5020 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.0160 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.4680 0.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.7850 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -2.5350 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -2.3280 2.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0330 -2.0150 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -0.6310 2.3370 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -2.6310 3.3270 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -2.4970 1.0540 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -1.7050 3.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -1.7310 3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.9740 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -1.0020 5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -1.7830 4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.5380 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.5100 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -1.8160 4.6020 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -3.0420 4.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 -1.4410 5.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 -0.6110 3.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -0.6790 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 0.2080 1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -0.0180 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -1.1470 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -1.9410 1.4120 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -3.7790 2.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -4.5500 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -4.0550 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -5.9990 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -6.8000 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -8.1520 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -8.7130 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -7.9240 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -6.5720 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 1.7650 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 1.8420 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.9820 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.2780 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.4960 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -1.2740 4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -0.3640 5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.4140 5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -3.1460 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -3.0970 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 0.1420 4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 0.6570 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -1.5090 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -4.1840 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -6.3640 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -8.7730 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -9.7710 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -8.3680 3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -5.9580 3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 11 12 1 0 0 0 0 11 41 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 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M END