IBS-ZINC02277460 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 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 0.0230 -0.7080 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0630 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7100 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.0350 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -4.0970 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.8520 -2.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9910 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6500 -1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -5.3600 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -5.8900 -2.8310 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -7.3430 -3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -8.1110 -4.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -9.1890 -4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -10.1710 -5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -11.2070 -6.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -11.3060 -6.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -10.3590 -5.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -9.3010 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -7.9470 -4.2130 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -12.2290 -6.9290 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1580 -12.1480 -6.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -13.1510 -7.5390 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8450 2.4840 C 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 0.0250 -0.1750 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.8730 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -5.1720 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -6.1420 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -10.1060 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -12.1260 -6.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -10.4380 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.1550 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -3.4850 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -3.4600 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END