OTAVA-ZINC05374917 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.2280 1.0010 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.3700 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -1.0180 -2.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0710 -1.0640 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -2.4640 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -2.6350 -3.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -0.2830 -2.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 0.7740 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 1.1830 -1.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 1.3850 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 2.7770 -3.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 3.7250 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 3.5050 -4.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 5.0420 -3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 6.1570 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 6.3150 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 7.2470 -4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 7.4330 -4.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 6.6880 -3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 5.7750 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 5.5940 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 6.9080 -4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 4.9600 -2.4950 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 3.2240 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 2.3540 -2.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.3500 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.7450 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 0.9650 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.2760 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -1.0170 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -0.6620 -3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 1.3570 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 0.7930 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 7.0660 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 7.8350 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 8.1620 -5.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 5.1880 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 4.8730 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 7.6960 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 5.9910 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 7.2010 -5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -3.2830 -1.8600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 34 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 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 42 -1 M END