NIH-ZINC04301589 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 71 0 0 1 0 0 0 0 0999 V2000 4.0670 0.7440 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -0.5490 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -0.3520 0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5340 0.4720 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 0.0800 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.6160 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0070 -1.9550 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -1.2220 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -1.7220 -1.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -2.7460 -0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -3.6600 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -3.6830 1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -4.6840 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -5.7990 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -6.8080 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -6.1630 -2.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -5.0470 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -4.0200 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -6.6650 -2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -7.5730 -2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -6.0910 -4.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1770 -5.0260 -4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -6.8480 -5.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 -8.3690 -5.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -6.5250 -6.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -6.2710 -3.7510 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 -4.9360 -3.3600 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0280 -5.4320 -2.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -3.9950 -4.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -4.2390 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 -4.9460 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -4.4090 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -3.1600 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -2.4620 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2850 -2.9950 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -2.6110 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 1.1620 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 1.4950 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.5520 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -1.2530 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.9840 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -0.6480 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.2000 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.0470 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -2.8130 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -5.1300 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -5.3700 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -6.3140 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -7.5770 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -7.3180 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -4.5370 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.4770 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -3.2580 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -3.5000 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 -6.5020 -6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -8.8110 -4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 -8.8360 -6.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2640 -8.6420 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -6.9170 -5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -5.4450 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -6.9740 -7.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 -7.1020 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 -5.9120 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -4.9700 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -1.4990 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 -2.4370 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -2.8320 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -1.5220 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -3.0510 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.4770 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 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 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 70 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 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 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M CHG 1 70 -1 M END