IBS-ZINC05092509 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -4.6650 8.2350 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 6.8210 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 5.9660 -2.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 4.2900 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 4.8360 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 5.0110 -2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 6.2840 -2.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 3.3420 -3.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 2.2450 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 1.6410 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 1.7970 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 3.0100 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 3.1110 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 2.0040 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 0.7900 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 0.6870 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 2.2370 0.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.1370 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 1.8460 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 0.6170 -2.1210 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6000 8.4680 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 8.8930 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 8.4580 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 0.9210 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 3.8860 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 4.0630 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.0990 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -0.2690 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 0.7820 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 1.4860 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 0.3270 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9260 2.8260 -2.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 24 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 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 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 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 2 0 0 0 0 M CHG 1 20 -1 M END