IBS-ZINC05451850 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.4680 1.4660 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.0320 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -0.6300 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -1.9460 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -2.6030 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.9470 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.6240 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 0.0450 -2.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.0150 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.3260 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -0.0210 -5.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.9960 -5.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 1.4580 -4.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1630 1.3080 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 0.7070 -2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 0.7040 -2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 2.9270 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 3.8170 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 5.0820 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 5.1960 -3.3690 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 3.4680 -3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.2680 -6.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.4280 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 0.6980 -8.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.8040 -9.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 2.6410 -8.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 2.3800 -6.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 2.1400 -10.8080 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.6650 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 1.4960 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.9720 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 1.9670 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.1190 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -2.4610 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -3.6310 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 0.6910 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.0220 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 3.5110 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 5.9090 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 2.9280 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.4350 -6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 0.0450 -9.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 3.5040 -8.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 3.0360 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -2.5230 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.2620 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -3.7290 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END