PUBCHEM-ZINC04845824 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.3620 -1.3790 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -0.6380 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.9720 1.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5490 -0.5610 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -2.4920 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -2.8180 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.2450 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.7220 3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -0.3960 2.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 0.5980 2.3590 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 1.2470 3.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 1.3020 1.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -0.4340 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -0.9960 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.8050 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -2.0540 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -1.4890 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -0.6760 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -2.8740 1.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -2.8800 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 -2.1040 3.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2990 -3.8310 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -3.8400 3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3810 -4.7290 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4020 -5.6110 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3770 -5.6080 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3290 -4.7190 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5260 -6.5630 1.8560 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.4300 -6.5690 2.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5470 -7.3410 0.9190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3870 -2.4480 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -1.1980 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -1.0180 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 0.4360 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.9470 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.9120 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.9200 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -3.8990 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -2.3770 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -2.6670 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -2.4970 4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -0.3190 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.2900 4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.8010 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 -2.2430 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -1.6810 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -0.2330 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -3.4380 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3210 -3.1520 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1840 -4.7380 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 -6.2990 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 -4.7140 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 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 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 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 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 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 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 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 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END