IFLAB-ZINC05241198 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.0100 1.7160 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.1960 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.4150 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -2.5150 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -3.9980 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -4.7700 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -4.0950 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -5.1250 -1.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -6.4910 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -6.2000 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -7.2890 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -8.3950 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -7.0550 -1.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -7.7580 -1.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -8.1160 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -7.4130 -0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -9.5490 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -10.2240 -2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -11.5750 -2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -12.2460 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -11.5680 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -10.2160 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -12.4020 0.3260 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 -12.9370 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 -13.5610 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.6170 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 2.0880 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 2.0810 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 2.1400 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.1360 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -0.1280 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.1910 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.0420 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -1.9470 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -2.3760 -3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -4.4270 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -4.0700 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -6.2040 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -7.7980 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -8.4840 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -9.7170 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -12.1070 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -13.3040 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -9.6800 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 -12.0740 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -13.6690 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5500 -13.8810 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -14.4430 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 -12.8470 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.1980 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -2.3670 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -1.9220 -1.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1550 -2.1260 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 38 1 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END