NIH-ZINC04058455 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 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 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -3.8900 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -4.4580 -3.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 -4.0530 -4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -5.9600 -3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -6.6490 -3.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -6.5320 -3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -7.9830 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -8.4490 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -4.0860 -3.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -4.0140 -4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -4.2570 -5.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -3.6400 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -3.5640 -6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -3.2140 -5.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 -2.9360 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -3.0100 -3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -3.3540 -3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 -2.5830 -4.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3860 -2.2900 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0530 -3.4960 -2.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 -3.7990 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0550 -3.1340 -3.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 -5.1030 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4080 -5.5060 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 -4.3840 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3030 -4.3030 -1.7720 O 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 0.9610 -2.0270 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -2.0110 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.2230 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -4.2400 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.3630 -4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -8.3620 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -8.0700 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -9.5380 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -8.0690 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -3.8920 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -3.7810 -6.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 -3.1560 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 -2.7940 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -3.4070 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2390 -2.5310 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1240 -1.4990 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6390 -1.9640 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9560 -5.8560 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5160 -4.9530 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0300 -6.4580 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 -5.5560 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 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 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 M END