NIH-ZINC04388816 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 0 0 0 0 0999 V2000 -0.3820 1.5230 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 0.0250 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.7330 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.1240 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.7570 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -2.0170 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -0.6260 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -4.5200 -0.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -4.8360 -1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -5.0000 1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -5.0500 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -6.4840 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -7.3970 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -8.5980 0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -8.4090 -0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -7.1210 -1.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -7.0920 2.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0450 -6.2090 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -6.7870 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -5.5760 3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -5.2820 4.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 -6.1900 4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -7.3950 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -7.6960 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -8.3210 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -9.4940 3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -9.3610 4.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -9.2440 5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -8.0710 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -9.3480 5.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -8.9830 6.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -8.9820 7.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -9.3310 7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -9.6830 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -9.6910 5.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 1.9450 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 1.9270 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 1.8500 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.2380 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.6890 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -2.4980 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -0.0510 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -4.6690 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -4.6360 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -4.8470 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -4.3440 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 -5.9570 4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 -8.0990 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -8.6430 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -7.3670 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -8.4760 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -10.4430 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -9.5060 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -10.1760 5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -9.1030 6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -8.0750 4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -7.1110 4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -8.6810 8.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -9.3260 7.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -9.9770 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -8.2110 3.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3910 -9.0860 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 61 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END