CHEMBRIDGE-ZINC01165107 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0230 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.0910 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 0.6880 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 1.1040 -3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 1.0120 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 1.8080 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 2.0070 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 2.8070 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 2.7240 -2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 1.9100 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 1.5050 -1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 1.5630 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 2.0510 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 1.7200 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 0.9070 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7790 0.4200 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 0.7450 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 -0.4460 2.7690 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3440 -0.7530 3.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 -0.9100 2.8940 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5240 0.1960 -0.5130 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -0.4930 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4910 1.1050 S 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.4560 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.3260 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -2.3750 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 2.2650 -3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 3.3530 -4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2980 3.1950 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7380 2.6840 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4220 2.0930 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 0.6520 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 0.3690 0.7950 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 15 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 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END