NIH-ZINC04039836 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 -0.1830 3.4250 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 2.1120 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 1.1400 -3.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.1010 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.4070 -1.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -0.9850 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -2.3150 -3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -2.7270 -4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.6490 -5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.6090 -5.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 0.3190 -5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -1.4820 -7.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -4.0030 -5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -4.9260 -6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -4.9530 -6.7310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8610 -4.2750 -7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -6.3060 -7.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -7.0460 -7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -8.1660 -7.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -6.2100 -6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -6.5290 -5.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -6.8400 -8.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -6.3890 -9.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -4.3620 -10.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -5.3680 -9.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -4.6410 -5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -5.2490 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -4.9820 -3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -4.1290 -4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -3.5290 -5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -3.7690 -6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -3.2550 -7.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -1.8250 -7.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -2.7470 -6.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -2.3920 -5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -4.2130 -4.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -3.1340 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 3.7590 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 3.3060 -4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 4.2010 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 2.2400 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 1.7780 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -2.0580 -7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.4340 -7.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -1.8300 -7.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -7.9320 -8.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -6.6230 -7.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -6.1930 -9.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -7.1510 -10.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -5.0000 -11.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -4.1050 -10.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -3.4490 -10.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -5.8540 -8.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -6.0020 -10.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -4.4010 -9.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -5.9390 -4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -5.4520 -2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -3.9730 -3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -1.5050 -7.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -1.3630 -6.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -1.4750 -8.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -3.2720 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -1.8570 -4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -1.7140 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -5.1000 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -3.1680 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -4.1660 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -2.7050 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -5.1170 -9.6940 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1190 -4.4800 -8.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 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 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 69 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 69 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 69 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END