CHEMBRIDGE-ZINC04646782 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 68 0 0 0 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 -0.5660 -0.5150 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.3340 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 1.1390 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 1.7260 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 1.2650 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 1.2510 -4.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 2.3900 -4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 3.3230 -4.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.5050 -6.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 3.8880 -6.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 4.0270 -8.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 5.7060 -8.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 5.9820 -10.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 7.3770 -10.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 8.0810 -9.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 7.8420 -11.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 9.1980 -11.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 9.2780 -13.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 9.8390 -12.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 11.3500 -12.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 11.6260 -11.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 12.2680 -11.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 11.5280 -12.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 10.1950 -11.7780 C 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 1.0280 -0.3540 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.3800 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.5720 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 0.0500 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.6500 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.9390 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 1.6880 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 1.3840 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 2.8140 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.2020 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.4360 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 3.1100 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 1.9430 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.5040 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 2.3680 -6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.7390 -6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 4.0250 -6.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 4.6540 -6.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 5.7970 -8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 6.4260 -8.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 5.8910 -10.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 5.2620 -10.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 7.2800 -12.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 9.4400 -10.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 9.9310 -13.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 8.2810 -13.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 9.6360 -13.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 9.3650 -11.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 11.7870 -13.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 11.7920 -12.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 12.3020 -10.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 10.6880 -10.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 13.3140 -11.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 12.2060 -10.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 11.3420 -13.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 12.1370 -12.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 10.3490 -10.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 9.8020 -12.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 M END