NIH-ZINC02739511 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -3.9840 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -4.3990 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -5.9250 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -6.3220 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -7.8780 -0.3520 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -7.9510 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -8.2020 -1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -8.9190 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -9.2070 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -10.0240 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -10.5530 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -10.2660 1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -9.4530 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -4.3750 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -4.3850 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -4.0070 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -3.9980 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 -6.3170 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -6.3260 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -5.6740 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 -8.7940 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -10.2490 3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -11.1910 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -10.6790 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -9.2310 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END