NIH-ZINC03871978 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 2.1660 -4.3740 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -3.9200 2.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.5100 2.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -1.9680 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.5100 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 0.3840 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 1.6570 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.4830 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.1740 0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.8200 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -4.0300 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.2520 -0.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -3.0920 -2.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2390 -4.0520 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -2.3630 -2.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8240 -2.9240 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.3660 -3.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -3.2050 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -3.8100 -3.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -1.5580 -5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.4480 -5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 0.0910 -4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -0.6140 -2.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 0.3780 -6.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 1.6120 -6.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 2.4200 -7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 2.0640 -8.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 3.6260 -7.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -1.9440 -6.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -2.9040 -6.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -4.0260 4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -5.4640 3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -3.9810 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 0.1590 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 2.5960 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 2.2670 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.2880 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 1.1740 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -0.1440 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 0.6120 -6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -0.1830 -7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 3.9410 -6.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 4.1780 -8.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.2330 -7.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -1.5680 -8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 10 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 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 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 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 44 45 1 0 0 0 0 M END