IBS-ZINC05215616 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 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 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7720 -2.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -2.7600 -3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -3.5500 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.1000 -4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -3.5600 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -3.8780 -2.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -4.6860 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -5.0310 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -5.8520 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 -6.3620 -4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -6.0510 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -5.2040 -4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -4.8990 -4.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -3.7880 -5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -3.0520 -6.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -4.8230 -5.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -5.0610 -6.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -6.2880 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -6.5370 -7.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -7.6820 -7.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 -8.0040 -8.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -8.9660 -9.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 -8.6650 -8.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -2.0670 -3.1590 N 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 0.0240 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8530 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1420 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -4.6440 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -6.1130 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -7.0120 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -6.4530 -6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -5.4090 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -4.1900 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -5.2360 -7.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -7.1590 -6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -6.1120 -5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 -5.6660 -7.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -6.7120 -8.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 -7.0920 -9.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -8.4950 -9.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -9.8780 -9.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -9.2120 -10.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 -7.9790 -7.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6330 -8.9100 -8.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -9.5770 -7.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -1.5360 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.1070 -3.8450 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 7 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 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END