IFLAB-ZINC04483091 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0550 1.3690 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.0450 0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.6610 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 0.0780 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -0.5590 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -1.9410 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -2.6700 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.0370 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7610 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.1660 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -4.7980 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -5.2690 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -5.8480 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -5.9560 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -5.4860 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -4.9110 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 0.2230 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 -0.3870 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -1.6760 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -2.2910 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2670 -3.6630 -0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 -1.3530 -0.2520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 1.7330 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.8570 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.5940 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 1.1460 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -2.4360 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -3.7380 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -4.6090 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -4.3390 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -5.1840 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -6.2150 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -6.4080 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -5.5710 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -4.5470 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 1.3000 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 -4.1800 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 -4.1160 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6460 -2.3980 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END