IBS-ZINC01811499 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 1.0360 1.4200 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.0650 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.6660 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.0240 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -2.7950 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -2.1800 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.8190 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2440 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -4.9170 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -6.3690 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -7.1610 -0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -6.7500 -2.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -5.8270 -3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -6.1160 -5.3130 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -4.2470 -2.8370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -8.1720 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -8.5790 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -10.0420 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -10.6940 -3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -10.6250 -3.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -11.9710 -3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -12.6570 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 -14.0560 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -14.3860 -4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -12.9940 -4.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -15.7750 -4.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -16.7760 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -16.2660 -5.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -15.0420 -4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -12.0410 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -11.5400 -4.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -12.0300 -2.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.6160 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.8020 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.9160 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.0700 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -2.4920 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.7670 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.3420 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -4.7720 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -8.3480 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -8.7620 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -8.4020 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -7.9880 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -10.1040 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -15.8010 -5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -16.0310 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -17.7450 -4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -16.8760 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -15.9890 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 -17.0500 -5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -15.3480 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -14.5720 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -12.4290 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -11.6220 -2.3500 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 15 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 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 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 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END