IFLAB-ZINC01058798 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -1.0870 1.8490 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.4940 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 0.2980 0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -0.4220 -1.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -1.7780 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -2.4120 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -3.7670 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -4.5350 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -3.8780 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -2.5230 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -5.9180 -0.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -6.6590 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -6.2980 -2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -8.0920 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -8.0200 0.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2790 -8.8260 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -6.6910 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -6.4120 1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -7.9680 1.8910 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -9.0200 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -8.3790 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -9.1190 5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -10.5090 5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -11.1560 4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -10.4250 3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -11.1960 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -10.9490 0.7380 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0810 2.2250 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.7730 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 2.5520 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0890 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -1.8860 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -4.1850 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -4.3960 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -2.0720 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -8.6220 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -8.5590 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -7.2930 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -8.6080 5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -11.0910 5.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -12.2440 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -12.0690 2.2990 O 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 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 2 0 0 0 0 19 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 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 42 2 0 0 0 0 M CHG 1 27 -1 M END