IFLAB-ZINC01871319 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.3250 0.9620 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.4200 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -1.0740 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -0.3440 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 1.0560 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 1.6990 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.5190 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 0.4290 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -0.6930 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -1.6000 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 2.9470 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 3.5880 1.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5360 3.4870 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 5.0480 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 5.4840 1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 2.9160 2.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 2.7620 3.8970 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 2.0830 4.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 4.0370 4.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 1.6750 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 2.1400 4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 1.2870 4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -0.0290 4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -0.4930 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 0.3610 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -0.1350 3.0670 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3230 -1.3210 2.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 0.6440 2.8300 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6290 1.4600 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.9880 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.1500 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 2.7740 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 0.4380 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 2.9680 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 3.5020 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 2.5620 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 3.1680 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.6500 5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.6960 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -1.5220 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 5.8660 0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 6.7940 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END