IFLAB-ZINC04248874 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 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 -0.7040 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0760 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7970 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0790 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.2280 -2.5420 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.5690 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1310 -0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -5.9080 -1.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.8590 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -6.5440 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -8.3150 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -9.3380 0.2960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -10.9420 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -11.2020 -1.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -12.5330 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -13.1270 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -12.1230 0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -12.2940 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -12.2520 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -13.3120 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -12.8200 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -11.4900 3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -11.1520 2.6410 O 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 0.0250 -0.1640 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6070 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1400 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -6.1600 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -8.5460 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -8.5220 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -13.0380 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -14.1890 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -13.2540 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -11.4910 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -14.3400 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -13.4010 3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -10.8090 3.4240 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 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 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END