NCID-ZINC04692069 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 70 0 0 0 0 0 0 0 0999 V2000 0.0400 1.5730 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.0950 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -0.7300 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.4370 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -1.2900 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 -2.6120 0.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -2.9980 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -4.3030 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -5.3080 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -6.5280 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -7.3330 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -6.5530 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -5.3220 -0.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -4.5520 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -6.9360 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -6.0920 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -4.8100 -0.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -4.4850 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -3.2520 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -2.0410 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.7370 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -0.2780 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -0.4910 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -0.0410 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 0.8110 -1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.0210 0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -2.8420 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -5.7130 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -6.7550 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -8.1990 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -5.7940 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -5.8540 2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -6.2960 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -6.0690 1.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -8.7270 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -7.1190 -0.8570 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 -1.9860 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -0.9450 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 0.6980 1.9990 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 -2.1640 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.9260 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.8790 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 2.0760 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 0.5950 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -4.3990 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -7.9330 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -3.1330 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -0.8140 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 0.7810 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 0.0670 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -1.5510 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -8.7820 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -8.4450 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -8.5330 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -4.9520 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -6.6830 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -6.5590 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -4.8720 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -9.4440 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -8.8870 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -8.9540 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 -2.3530 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -1.2840 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 -3.0090 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -0.5640 -3.3650 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7820 -6.8500 3.7010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 21 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 13 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 65 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 M CHG 1 65 -1 M CHG 1 66 -1 M END