NIH-ZINC04035474 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 1.1710 -3.2300 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -4.3460 -3.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -4.0950 -2.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -5.2160 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -5.0970 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -3.8580 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -2.7420 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.8530 -2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -3.7360 -2.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -2.5490 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -2.9500 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -5.1590 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -4.7490 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0550 -4.1920 -0.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.2870 -3.2130 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3200 -4.5930 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9670 -3.4330 -1.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4220 -2.7710 -3.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.1300 -1.5240 -3.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9720 -2.8080 -3.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9940 -3.9050 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2140 -3.6690 -5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6350 -4.5460 -6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8600 -5.6420 -6.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6380 -5.8650 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2080 -4.9910 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0380 -5.2410 -4.2410 F 0 0 0 0 0 0 0 0 0 0 0 0 -13.8050 -4.3300 -6.7140 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.7590 -5.1530 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8660 -6.5450 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 -7.3700 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1550 -6.7790 2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -5.4460 3.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3460 -4.6700 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -3.5980 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -2.7580 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -2.5080 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -6.1930 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -6.0010 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -1.7550 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -1.9480 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -1.9260 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -1.9330 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 -3.4460 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3860 -2.0680 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8880 -5.8390 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 -5.6340 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 -4.3230 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -5.6460 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0950 -5.3660 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0780 -5.0210 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 -2.9160 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8410 -2.8190 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2100 -6.3110 -7.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0210 -6.7140 -6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1820 -7.0110 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 -8.4480 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -7.3800 3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2410 -3.6050 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8540 -3.9270 -1.2640 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2390 -3.4290 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 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 40 1 0 0 0 0 8 41 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 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 12 60 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 14 60 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 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 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END