NIH-ZINC03874778 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 0.3830 2.1830 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 0.6650 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 0.0170 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -1.5100 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -2.1590 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -3.6930 2.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0410 -4.0180 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -4.3070 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -5.2430 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -5.8270 5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -6.7550 6.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -7.0480 7.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -7.8500 8.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -6.2520 7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -5.4290 5.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -7.4170 6.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -8.8530 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -9.5180 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -10.9740 5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -11.6410 5.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -13.1090 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -13.8730 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -13.1810 5.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -4.1570 2.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 2.5320 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 2.6250 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 2.5540 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 0.3510 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 0.3300 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 0.3380 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 0.3590 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.8260 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -1.8520 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -1.8030 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -1.8270 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -3.9400 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -5.6160 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -5.6160 7.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -6.9210 6.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -5.6450 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.3590 6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -7.4160 7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -6.8450 5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -8.8550 4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -9.4420 6.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -9.4790 6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -8.9620 5.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -11.0180 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -11.5260 6.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -11.5650 6.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -11.1080 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -13.1870 4.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -13.6260 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -3.7520 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -15.1300 5.1760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 24 54 1 0 0 0 0 M CHG 1 55 -1 M END