NIH-ZINC04102830 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -0.7340 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -1.1590 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.1510 -3.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.7540 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -0.6020 -2.7790 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -1.1290 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -1.0790 -5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -0.7210 -4.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.4300 -6.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -1.3840 -6.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -1.0190 -6.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -1.0260 -6.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -0.6750 -6.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1390 -0.7440 -7.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0380 -1.1630 -8.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -1.5110 -8.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 -1.4450 -8.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -1.8060 -8.4820 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1500 -1.2290 -9.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3900 -0.8540 -8.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -1.4880 -3.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -1.3940 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -1.6870 -2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -0.9840 -0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -0.6500 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -0.2810 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.8980 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -1.9390 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -0.4640 -5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -2.1490 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -1.7160 -6.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 -0.3480 -5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1030 -0.4730 -6.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 -1.8360 -9.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5900 -1.5040 -7.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3310 0.1800 -8.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1940 -0.9520 -9.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -1.2040 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 0.1280 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 -1.5560 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -1.0780 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -2.6230 -4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.4510 -4.8060 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 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END