IBS-ZINC04823127 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3580 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 1.2280 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.0950 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -2.6940 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -1.9140 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -0.6040 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 0.0430 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 1.4550 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 2.3970 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 4.1090 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 5.0530 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 4.6140 -0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 6.3850 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 7.2620 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 8.5450 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 9.4680 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 10.8400 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 11.7110 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 11.1800 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 9.8320 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 8.9610 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 13.0310 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 13.7820 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.8770 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 0.3750 -2.6840 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -3.7720 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -2.4010 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 4.2870 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 4.2770 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 6.7360 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 8.9360 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 11.2370 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3520 11.8450 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 9.4340 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 7.6240 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 7.2370 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 39 40 1 0 0 0 0 M END