CHEMSTAR-ZINC01772155 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.8190 1.8860 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 0.4750 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -0.3020 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -1.6830 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.4380 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -1.8140 0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -0.5010 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 0.2460 0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -3.8200 0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -4.7050 0.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -6.0640 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -4.2340 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -4.2750 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -4.9840 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -4.6490 -3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -3.5990 -3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -2.8890 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -3.2320 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -3.2570 -5.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0870 -4.2140 -5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -5.3840 -5.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 -3.8410 -7.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8680 -2.4980 -7.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 -2.1570 -8.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 -3.1420 -9.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4800 -4.4740 -9.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 -4.8300 -8.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -6.5020 -7.8620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.6250 -0.7340 -9.1750 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3570 0.1330 -8.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0860 -0.4310 -10.2610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1460 2.3890 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 2.2370 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 2.1080 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -2.1590 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -0.0240 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -4.2670 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -5.8000 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -5.2030 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 -2.0720 -2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -2.6840 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 -2.3310 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 -1.7290 -6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1050 -2.8690 -10.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7200 -5.2370 -10.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 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 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END