NIH-ZINC03003622 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.7840 1.8260 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 0.3590 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -0.4150 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -1.7760 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.4810 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -3.8790 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -4.5790 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -3.8820 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -2.4840 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -4.4350 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -5.8590 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -6.2260 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -7.7390 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 -8.0650 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 -9.8660 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0830 -11.3780 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 -12.0420 0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 -11.8200 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0500 -10.3310 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 2.4660 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 2.0590 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 2.0680 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 0.1420 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 0.1520 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -1.9780 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -4.4230 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -5.6630 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -1.9360 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -6.2780 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -6.2560 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -5.7660 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 -5.7820 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 -8.1860 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -8.1610 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 -7.7210 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 -7.6030 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1180 -9.3630 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5090 -9.4530 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1350 -11.6040 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4950 -11.7860 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -12.3670 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 -12.2410 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 -9.9200 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -10.1680 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 -9.5590 0.0400 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8620 -9.9050 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END