IFLAB-ZINC04553878 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.8320 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 0.0610 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -2.1210 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -1.0640 -1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 0.0880 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -0.3900 -3.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2740 -0.8940 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 0.7940 -4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 1.1670 -5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 2.2900 -5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 2.8290 -6.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 1.8920 -5.3080 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -1.5440 -4.6450 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -2.7540 -3.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -0.8630 -5.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -2.0050 -6.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -3.0390 -6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -3.2070 -7.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -2.3090 -8.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 -1.1760 -7.6210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -1.9620 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.5910 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 0.7810 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 0.6340 -4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 2.6990 -6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 3.7040 -6.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -3.6960 -5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 -4.0040 -7.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -2.2830 -9.3040 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 M END