IBS-ZINC04038235 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 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 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7500 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.1770 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.7560 -3.7320 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8200 -4.3600 -4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -6.2810 -3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -6.8270 -5.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -7.2150 -5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -7.2310 -5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -6.8380 -4.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -7.6850 -6.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -7.6970 -6.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -8.1210 -7.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -8.5240 -8.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -8.1230 -8.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -7.6680 -7.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -7.5510 -6.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -7.0580 -5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -6.8130 -5.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -7.1070 -6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -6.7450 -5.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -7.0520 -6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 -6.7140 -5.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6770 -6.9640 -6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -8.6060 -9.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -4.3920 -4.4000 O 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 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8520 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.5020 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.5280 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -6.6840 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -6.5580 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -6.4460 -4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -6.5220 -6.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -8.1690 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -7.3310 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -5.6840 -5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -6.4670 -7.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -8.1140 -6.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5350 -6.6810 -5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6750 -6.3770 -7.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 -8.0240 -6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -8.9190 -9.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -9.4520 -9.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -7.8050 -9.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -4.7120 -3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 31 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END