IBS-ZINC04327963 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 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 0.7420 -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 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.1480 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -0.5080 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -1.1520 -0.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -0.1540 -2.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -0.5450 -2.8190 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8580 -0.8860 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 0.6290 -3.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5570 1.5020 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6400 0.1210 -4.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 -1.1310 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -1.7920 -5.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -1.5920 -3.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -2.9210 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 0.8660 -5.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3470 0.9530 -2.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 2.2390 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 3.1290 -2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6860 2.5370 -1.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 3.9350 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2310 3.9960 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9270 3.3310 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6220 5.4570 -0.0600 C 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 0.5120 -0.3560 -0.8950 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 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 0.3660 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 0.3600 -3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5770 -3.6130 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -3.2730 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -2.8670 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 1.4140 -6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 0.1700 -6.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0910 1.5680 -5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9080 0.2430 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2470 1.8270 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 4.3800 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1770 4.4850 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0540 3.4720 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 2.2900 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1040 3.8550 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8120 3.3750 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8380 5.9310 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5060 5.5010 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7990 5.9810 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 M END