NIH-ZINC05042548 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 0 0 0 0 0 0999 V2000 -1.8700 0.2660 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -1.1060 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -1.4700 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.9500 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -3.4220 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -5.5080 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -7.0190 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -7.2180 -2.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -8.5500 -3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -8.6890 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -7.7450 -4.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -7.7070 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -6.8440 -3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -6.7790 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 -7.5590 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -8.4080 -5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -8.4850 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -9.2760 -6.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -10.0480 -7.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -6.1130 -2.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -5.4230 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.9040 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 0.4770 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 0.4820 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -1.2850 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.8690 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -3.1300 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -3.5280 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -3.3170 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -2.8890 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -5.1860 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -5.1600 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -7.5090 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -7.4280 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -8.7130 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -9.2710 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -9.7080 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -8.4810 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -6.1250 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 -7.5020 -4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -8.9900 -6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -10.5990 -7.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -10.7820 -6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -9.4060 -7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -4.5860 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -6.1010 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -5.0120 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -4.8660 -2.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3880 -5.0290 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -5.4380 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 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 20 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END