IBS-ZINC02121037 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.5240 1.4570 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 0.0290 -1.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.6210 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.1020 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -0.5580 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -1.9380 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.6660 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -2.0050 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -4.0640 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -4.6890 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 -4.0420 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -6.1910 0.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0520 -6.6300 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -6.6050 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -6.9500 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -7.2650 3.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -7.5440 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -7.1270 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -6.7130 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -6.4960 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -6.6930 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -7.1050 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -7.3160 4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -6.4830 2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -6.7050 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -6.6580 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -7.5490 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 -7.3250 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -6.4480 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 -5.7760 1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 1.8490 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 1.8360 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 1.7750 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 1.1810 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 0.0070 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -2.4510 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.5690 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -4.5830 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -6.9740 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -6.1760 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -7.2570 4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -7.6370 5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -7.7410 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -6.5030 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -6.0410 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -7.1700 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -8.5800 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 -6.7900 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5430 -8.2090 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 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 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 M END