IFLAB-ZINC04248869 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -2.3440 0.8660 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -0.5320 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.8820 2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.0900 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -2.8310 1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -2.5120 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -1.6260 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -2.0270 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -3.3080 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -4.1940 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -3.8100 2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -4.7050 1.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -6.0190 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -6.4100 3.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -7.0020 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -8.6740 1.8480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -9.5910 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -9.0900 -0.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -10.0840 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -11.2430 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -10.9400 0.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -11.8900 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -11.9660 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -12.8130 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -12.5400 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -11.5420 4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -11.2020 3.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 1.5900 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 1.1280 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 0.8750 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -1.2560 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.5410 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -0.6270 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -1.3410 5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -3.6130 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -5.1900 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -4.3830 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -6.7520 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -6.9570 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -9.9700 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -12.2250 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -12.8750 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -11.5570 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -13.5590 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -13.0380 3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -11.0930 5.2180 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 1 0 0 0 0 2 31 1 0 0 0 0 2 32 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 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 M END