NIH-ZINC06528723 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.7560 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.0990 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -4.2440 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.0320 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.1120 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.7030 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -5.5550 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -5.9290 1.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -7.1120 1.6570 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -7.2620 3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -6.7980 0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -8.6200 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -9.4340 1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -10.6170 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -10.9920 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -10.1760 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -8.9920 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -10.5280 -2.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -11.5320 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -12.6810 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -12.1560 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.1400 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.5620 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.8950 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.1840 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -5.4520 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -6.3280 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -5.4850 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -9.1430 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -11.2500 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -8.3570 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -11.9040 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -11.1100 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -13.0990 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -13.4550 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END