CHEMSTAR-ZINC04015978 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -2.6200 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -3.9750 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -4.1000 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -5.4550 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -2.8980 -3.8190 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -3.7990 -4.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.2160 -3.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -1.4380 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -1.1460 -5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -0.0030 -6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 0.8540 -6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 0.5590 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.5890 -4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 1.4700 -5.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7800 1.2090 -4.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 2.4790 -5.8280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0440 2.0140 -7.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 2.0840 -8.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 3.3840 -9.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 4.2310 -7.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 3.2080 -6.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 3.4330 -5.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -2.5430 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -1.8210 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -4.0510 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -4.7740 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -4.0230 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -3.3010 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -6.2540 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -5.5440 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -5.5310 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -1.8130 -5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.2250 -7.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.8220 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 1.2220 -8.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 2.1290 -8.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 3.1880 -9.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 3.8700 -9.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 4.8210 -8.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 4.8780 -7.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 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 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END