IFLAB-ZINC04139306 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.0810 1.8190 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.2900 -0.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0150 -0.0720 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.3190 1.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0280 0.0630 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 0.1540 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 0.8780 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 1.1630 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 0.6500 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -0.1670 0.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.5830 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -4.0840 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -4.3580 2.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -3.7430 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -2.2230 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.0700 -1.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -1.3620 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -2.3370 -1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.5470 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -2.7260 -4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -2.9530 -5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -2.0130 -5.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -0.8380 -5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -0.6060 -3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -2.2290 -7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -1.0860 -8.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -2.2400 -7.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -3.5570 -7.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 2.2890 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 2.2240 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 2.1230 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 1.1950 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 1.7160 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 0.7180 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -2.1700 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -2.4090 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -4.5060 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -4.6000 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -4.1540 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -4.0080 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -1.7670 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -1.8160 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 0.6940 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -3.4800 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -3.8850 -5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.0830 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 0.3020 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -0.1080 -7.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -1.2360 -9.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -1.0300 -8.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 -3.0230 -6.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -2.4270 -8.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -1.2860 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -3.6120 -8.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -3.6630 -8.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -4.4250 -7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -1.8450 1.0960 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6240 -2.2040 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 57 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 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 43 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END