IBS-ZINC05267046 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 0.1460 1.2650 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.2370 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.9720 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.3300 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.9790 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.3060 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -4.9690 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.2500 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -5.1910 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -6.4290 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -6.2960 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -7.3960 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -7.7700 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -7.2670 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -7.6100 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -8.4550 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -8.9580 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -8.6190 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -7.6940 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -7.6890 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -8.8640 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -10.1270 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -11.1970 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -12.5160 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -12.9620 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -11.8920 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -10.5730 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -2.8400 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -2.1850 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.2340 -0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.8730 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.5970 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.5830 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.7040 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -0.4640 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -2.9050 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -4.9710 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -7.0840 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -8.2580 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -6.6070 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -7.2160 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -8.7220 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -9.6180 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -9.0150 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -8.8700 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -9.9870 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -11.3370 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -10.8790 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -13.2780 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -12.3750 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -13.1020 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -13.9010 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -12.2100 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -11.7510 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -9.8110 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -10.7140 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -0.2990 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 31 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 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 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 57 1 0 0 0 0 M END