NIH-ZINC00251461 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -1.1060 1.3140 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.4710 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.2530 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.5330 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -0.8320 1.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -1.1030 -0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -2.0700 -0.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2120 -1.6010 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -2.1840 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -3.4370 0.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1320 -3.2250 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.0800 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -4.0230 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -4.7440 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -5.3400 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.0320 -1.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -3.7870 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 -4.8470 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 -5.9360 0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 -6.5850 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -5.6170 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 2.0730 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 1.8290 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.6970 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 1.1410 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.9640 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.8180 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.4590 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -0.8440 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -2.9210 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -1.2180 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -2.4420 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -3.4830 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -4.8240 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -5.9440 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -2.9990 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -3.3690 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 -4.4050 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -5.2270 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -7.4200 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -7.0020 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 -5.2150 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -6.1150 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -4.4140 0.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2220 -4.7750 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END