IBS-ZINC02138676 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.9860 -0.7920 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.6270 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.2880 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.7340 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -1.4600 -0.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9660 -2.0740 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -0.3240 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -0.2060 -2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -2.3070 -1.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.7980 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -3.6220 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.2940 -0.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -4.2050 -2.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0930 -3.3910 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -4.5800 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -4.8640 -5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -6.1800 -5.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -6.4300 -6.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -5.3690 -7.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -4.0560 -7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -3.8040 -5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -5.3000 -2.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -6.5400 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -7.5710 -2.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -7.4150 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -8.5150 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -8.3950 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -7.1700 -3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -6.0640 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -6.1950 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -5.0480 -3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -3.9570 -3.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -1.4150 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -0.3410 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 0.0150 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.4100 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -2.9680 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -2.8760 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -1.5390 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.0430 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.2020 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -5.4330 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -3.7590 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -7.0180 -4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -7.4530 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -5.5650 -8.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -3.2270 -7.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -2.7730 -5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -6.6220 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -9.4720 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -9.2590 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 -7.0760 -3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -5.1100 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 0.3140 -0.0410 O 0 5 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 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 54 -1 M END