CHEMBRIDGE-ZINC02895236 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.2900 0.9420 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.3830 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.9240 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -0.1370 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 1.1880 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 1.7250 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -0.7610 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -1.9750 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 0.0790 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -0.4220 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 0.7340 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 1.8940 -0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 0.3150 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 1.2310 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 0.7470 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7650 1.5980 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0190 0.9960 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1710 1.7830 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 3.1750 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 3.7600 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 2.9780 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3370 4.0220 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4500 3.4160 -0.2080 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2920 1.3630 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.9960 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -1.9600 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 1.8140 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 2.7550 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 1.0750 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -0.9440 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -1.1230 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 -0.6610 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7450 -0.3360 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1230 -0.0770 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1490 1.3120 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7240 4.8370 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6820 3.4540 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1830 5.2730 -0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 M CHG 1 23 -1 M END