IBS-ZINC04042896 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.0010 1.4790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0280 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -0.6310 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -2.0890 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -2.4150 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -3.5380 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.2820 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.1480 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7350 0.4520 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 0.7010 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 2.0780 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 2.8580 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 2.2580 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 0.8740 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 0.1000 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 3.0440 -4.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 4.5040 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 2.4080 -5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -1.1970 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -1.1710 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -1.0820 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -1.0570 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0220 -0.9680 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 -0.9430 4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 -0.9910 5.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -2.9900 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.8460 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8430 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.8360 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 2.5440 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 3.9330 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 0.4040 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -0.9760 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 4.9000 -4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 4.9150 -5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 4.7830 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 1.3260 -5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 2.7540 -6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 2.6720 -6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -0.2850 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -2.0620 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -2.0830 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -0.3060 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -0.1710 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -1.9480 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -1.9680 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -0.1910 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3410 -0.0560 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4450 -1.8330 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -3.9110 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8130 -0.8660 4.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0710 -0.8530 5.6410 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 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 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M END