NIH-ZINC02972716 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.2830 1.7850 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.3980 0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 0.0450 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -1.3220 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -1.8190 -1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -0.9700 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 0.4050 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.9110 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -1.4520 -3.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -0.6800 -4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -1.5700 -5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -3.5760 -4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -2.6960 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -3.6400 -6.8850 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4550 -4.0200 -7.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 -4.8660 -6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -5.6240 -7.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 -6.3040 -7.9720 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 -6.8960 -9.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 -5.3160 -7.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -7.6940 -6.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 -9.0430 -7.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -9.8030 -5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 -9.0090 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 -7.3590 -5.2050 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -2.8070 -8.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -2.5440 -9.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -1.7590 -10.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 -1.2520 -10.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -1.4770 -9.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 -2.2570 -8.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 2.1920 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 2.3440 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 1.8960 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -2.0120 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -2.8910 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 1.1170 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.9840 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 0.1200 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -0.2080 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.9530 -6.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 -0.9860 -6.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -4.4120 -4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -3.9500 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -2.4320 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -3.2890 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -4.5170 -6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 -5.5590 -5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -6.2150 -8.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 -9.4630 -8.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -10.8780 -5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 -9.3180 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -2.9470 -9.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -1.5510 -11.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 -0.6340 -10.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -2.4250 -7.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -2.7900 -5.6010 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1370 -2.4230 -5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 57 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 14 57 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 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 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END