IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 1.0670 0.6280 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.3390 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 2.3080 -0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 0.7970 -2.1460 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7770 1.0950 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 1.2830 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 1.3350 -2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 1.3300 -3.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 1.3190 -3.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2010 0.5760 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 2.6660 -3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 3.8590 -3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 5.0890 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 5.1860 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 3.9740 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 2.7400 -4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 6.4110 -4.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 7.6530 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 6.4920 -5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 1.4040 -5.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 2.8390 -5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 2.8920 -6.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 4.3390 -7.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 4.4360 -8.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 5.8690 -9.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 6.7800 -8.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 1.1060 -0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 0.5570 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 1.1880 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.3720 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 3.8650 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 5.9780 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 3.9660 -5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 1.8410 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 7.8900 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 8.4980 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 7.5940 -4.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 6.1610 -6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 7.5180 -5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 5.8840 -4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 0.8700 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 0.8690 -5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 3.3950 -4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 3.3470 -5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 2.3230 -7.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 2.4180 -6.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 4.9120 -6.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 4.8010 -7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 3.8690 -9.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 3.9830 -8.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.2990 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 5.9570 -10.0880 O 0 5 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 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 2 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 52 -1 M END