IBS-ZINC04950415 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 0.0220 -0.6590 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0350 2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.6450 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.8580 3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.1010 4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -1.0820 6.1810 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0300 7.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.3400 8.8620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -1.2480 9.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.8210 9.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 1.0830 10.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 2.3880 11.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 3.4410 10.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 3.1990 9.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.8840 8.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 1.3380 7.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0310 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.7160 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.1030 -3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.8110 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.1310 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.1710 -2.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.8320 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.7730 -4.8740 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 0.0100 1.0050 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.7400 4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.7150 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 0.2680 11.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 2.5910 12.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 4.4580 10.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 4.0240 8.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0490 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.1710 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6790 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -4.5560 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -5.9110 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -4.5320 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -2.9550 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END