CHEMBRIDGE-ZINC05005440 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.9060 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -1.5210 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -1.8410 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -1.5460 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.9300 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.6190 -2.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9530 0.4540 -2.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.4360 -1.8420 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2840 -1.8870 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.6120 -4.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -1.9360 -5.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -1.6510 -5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -1.1110 -4.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -1.9940 -6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -1.6960 -6.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -2.0220 -8.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -2.6370 -9.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -2.9040 -9.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -2.5780 -7.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -0.5920 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -1.7500 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -2.3200 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.3660 -5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -2.3670 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 -1.2170 -6.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 -1.8040 -8.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -2.9050 -10.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -3.3820 -9.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.2930 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 12 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 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 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 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END