NIH-ZINC03007081 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 0.1870 1.3960 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.0890 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.9240 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -2.2640 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -1.9480 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -1.0910 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -0.7870 -2.3810 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -1.7150 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -2.3510 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 -3.2390 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -3.0640 0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -4.3400 0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -1.7870 -1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -1.2090 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 -0.5090 -3.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2260 -1.4560 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9620 -0.4840 -3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3170 -0.6760 -4.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9350 -1.8590 -3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2190 -2.8240 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8600 -2.6280 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6680 -2.1060 -4.0790 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.1600 -3.0200 -3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2690 -0.7980 -4.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6730 -2.9060 -5.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1310 -4.2960 -5.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5390 -4.9550 -6.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0720 -4.1940 -8.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6330 -2.8740 -8.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2280 -2.1240 -6.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.4610 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 1.7200 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.6310 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 1.9850 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.6960 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.2940 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -1.9350 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.6270 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -3.3190 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -1.6840 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -4.5960 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -4.9530 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 -2.3090 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 0.4320 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8680 0.0940 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7030 -3.7380 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3190 -3.4170 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0380 -4.2580 -5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5240 -4.8870 -4.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0970 -5.9540 -7.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6280 -5.0650 -7.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2590 -2.3420 -8.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7230 -2.9460 -8.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6920 -1.1340 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1380 -2.0130 -6.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.9830 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 0.5990 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.5320 -0.1720 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7800 0.1170 0.4900 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 58 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END