NIH-ZINC06245193 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 1.6750 2.1520 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 1.1510 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.1870 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.7730 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -0.7820 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.1680 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 1.1270 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -1.9730 -0.7660 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -2.3100 0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -1.4400 -1.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -3.3030 -1.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -4.6720 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -5.5420 -1.5680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2340 -5.1600 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -6.9440 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -4.5670 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -5.0440 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -4.9700 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -4.4280 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -4.7440 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -5.6100 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -6.1690 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -5.8540 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 1.7480 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 3.0840 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 2.4030 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 0.1710 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.5190 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 0.1680 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 1.8550 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -3.1570 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -7.4070 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -7.5920 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -6.9250 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -3.7700 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -4.3150 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -5.8530 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -6.8480 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -6.2920 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -5.6660 -1.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -3.3470 -0.8340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 40 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 41 -1 M END