IFLAB-ZINC05145038 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7400 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.4500 0.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.1440 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7940 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.2160 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 0.0390 -3.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 0.0350 -3.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.5670 -4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.8220 -4.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 0.8180 -4.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 1.3910 -6.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.1230 -1.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.4250 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.7400 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -5.4590 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -6.7620 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -7.8020 -3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -7.4440 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -8.4250 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -9.7610 -5.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -10.1230 -3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -9.1540 -2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -11.5550 -3.5680 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1260 -12.4120 -4.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -11.8750 -2.3940 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0280 -0.1830 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.1680 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 2.3490 -6.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 0.7140 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 1.5420 -6.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8720 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -5.1800 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -7.0410 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -6.4030 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -8.1500 -6.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -10.5250 -6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -9.4380 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.0620 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.8680 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.7850 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 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 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END