IBS-ZINC01840014 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 0.2800 0.8270 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0030 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.1270 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 0.5660 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 1.3990 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 1.5250 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 2.1440 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 1.5480 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 3.4830 0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 4.1890 0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 4.9000 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 4.9760 -1.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 5.5930 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 6.3860 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 6.9950 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 7.8120 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 8.3770 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 8.1090 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 7.2910 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 6.7680 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 5.1510 1.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 4.1530 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 3.3020 2.8100 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 0.4250 -2.1560 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8720 -0.3910 -3.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 1.1250 -2.1860 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4350 0.9270 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.5420 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -0.7720 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 2.1690 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 3.9580 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 6.5700 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 7.9990 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 9.0120 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 8.5350 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 7.0810 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 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 14 32 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 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END