IBS-ZINC05207785 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1940 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0110 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4230 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 2.1340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 3.3500 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 1.3840 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 0.0270 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -0.6280 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 2.0410 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 2.2620 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 3.0580 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 3.2790 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 1.9260 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 1.1300 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 0.9080 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 1.1590 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1420 1.6460 1.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9960 -0.0700 3.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -0.7740 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -0.3260 1.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 0.5280 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4910 -1.3180 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4010 -1.4410 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -2.5890 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0120 -3.6230 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 -3.5180 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3410 -2.3610 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3980 -1.9670 2.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1810 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.5350 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 1.4110 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 3.0020 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 2.8170 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 2.5030 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 4.0220 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2760 3.8460 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 3.8340 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 2.0840 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 0.1660 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 1.6850 4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 0.3420 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 0.3540 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 -0.4600 3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5180 -0.6400 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8640 -2.6840 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6090 -4.5170 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0060 -4.3270 2.4550 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 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 12 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 31 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 M END