PUBCHEM-ZINC03687403 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0080 1.5450 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 0.0320 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.5130 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -1.8780 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.7870 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -4.1680 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -4.6060 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -3.7330 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -2.3460 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -4.5270 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -5.8610 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -5.8790 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -6.7160 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -7.0910 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -8.2250 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -9.2830 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -8.8990 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -7.3410 0.8760 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5030 -10.0240 0.7790 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -3.9740 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -4.1260 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 -3.5760 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 -3.7520 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 2.0140 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.9010 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.8760 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.2720 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.2970 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -2.4560 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -4.8700 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -1.6300 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -8.2990 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -10.2490 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -4.4550 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -2.9110 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -3.5980 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -5.1810 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1780 -4.0940 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -2.5140 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -3.2130 -3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 -4.8060 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6070 -3.1910 -2.7520 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.0720 -3.2800 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5960 -2.1910 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1970 -3.6720 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 42 1 M END