NIH-ZINC00055453 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 36 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.0780 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.8000 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -4.1370 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -5.1310 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -6.4490 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -6.8520 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -5.8910 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -4.5420 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -3.1020 0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -8.2870 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -9.2680 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -10.4470 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -11.7860 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -12.7820 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -12.4650 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -11.1480 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -10.1310 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -8.7820 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -4.8380 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -7.1930 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -6.1950 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -12.0380 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -13.8170 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -13.2560 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -10.9090 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 M END