IBS-ZINC00666568 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.7800 0.1250 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -1.3710 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.1160 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -1.5920 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.9510 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.1630 -0.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -0.1820 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -2.2930 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -2.4920 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -3.6010 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 -4.5420 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -4.3370 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -3.2220 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -5.7330 -3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -6.2060 -4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -7.4640 -5.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -8.2990 -4.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -7.5110 -6.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -6.3780 -6.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -5.5590 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -4.4920 -4.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -6.1250 -7.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -7.0360 -8.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -6.7820 -8.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -5.6240 -8.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -4.7160 -7.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -4.9600 -6.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 0.2820 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.6560 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 0.5010 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -1.7470 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -1.7400 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -3.1820 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -1.9590 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -2.6610 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -1.1360 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 0.1180 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -1.4060 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 0.5710 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -0.6850 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 0.3000 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -1.7670 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -3.7550 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -5.0580 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -3.0600 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -6.2420 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -8.2320 -6.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -7.9410 -8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -7.4900 -9.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -5.4290 -9.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -3.8120 -7.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.2480 -6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 M END