NIH-ZINC04144284 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 0.0470 1.4130 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 0.8380 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 1.3650 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 1.7640 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 2.0080 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 2.4600 2.7380 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 2.3040 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 1.9410 4.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 2.5510 5.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 2.9210 4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 3.0320 3.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 3.1810 6.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 3.8730 7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9440 4.1170 8.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2710 3.6910 8.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7340 3.0310 7.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8730 2.7520 6.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4270 2.4940 7.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.4700 1.3400 6.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9040 2.3820 8.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2110 3.7960 6.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8990 4.0350 4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3370 5.4630 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7460 6.0590 6.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1970 5.0770 6.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6150 5.3910 8.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5420 6.7260 8.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0670 7.7140 7.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6630 7.3840 6.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 1.8700 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 0.4040 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 1.4610 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 2.1450 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 0.7860 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -0.1500 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 0.5970 4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 2.2400 4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 2.4220 6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 4.2510 7.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 4.6510 9.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9330 3.8900 9.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2250 2.2130 5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2120 3.3030 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8420 3.9580 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2450 5.4460 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7580 5.9990 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0030 4.6330 8.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8630 7.0030 9.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0150 8.7480 8.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2960 8.1510 5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 0.9520 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 2.7340 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.7730 1.4810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3610 2.7160 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 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 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END