IBS-ZINC04090282 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 63 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -0.0340 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -0.7600 -2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 1.2180 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 1.7030 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 3.1440 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 3.1920 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 3.6080 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 5.0490 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 5.9570 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 5.9090 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 5.4930 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 4.0520 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 7.3760 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 7.6350 -2.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 8.3580 -2.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 9.7370 -2.3880 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8010 9.7350 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 10.5080 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 9.9220 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 8.9000 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 8.3620 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 8.8470 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 9.8700 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 10.4110 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 10.3980 -3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 9.7800 -4.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 1.7980 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 1.6700 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 1.0710 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 3.5600 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 2.9610 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 5.3800 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 5.0970 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 6.1400 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 5.5410 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 3.7210 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 4.0040 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 8.1500 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 10.4350 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 11.5560 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 8.5200 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 7.5620 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 8.4260 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 10.2490 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 11.2130 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -2.3770 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 11.6730 -3.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0020 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.3530 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 12.0540 -4.6280 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 4 1 0 0 0 0 2 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 60 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 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 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 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 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END