CHEMBRIDGE-ZINC04200278 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -1.2820 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -1.7400 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4190 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.6390 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.1780 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -1.9100 4.6620 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7820 -2.5970 4.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.6270 5.7740 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -0.2080 -0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -0.6590 -0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -0.3870 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -0.9350 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -0.6510 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -1.1880 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1230 -1.9810 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -2.2320 -0.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 -1.7490 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 0.4140 -2.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -1.5330 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -2.3490 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.3890 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 0.4340 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 -0.0280 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5730 -0.9890 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1130 -2.4020 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -1.9810 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 0.7730 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 0.6170 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END