PUBCHEM-ZINC05735014 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.0070 1.0740 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.4300 -0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8370 -0.8320 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.7250 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.1730 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -2.3890 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.6740 3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -2.8590 5.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -2.7610 5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -2.4720 4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -2.2840 2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -2.9660 6.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 -2.8980 6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -1.2850 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -1.6670 -1.5940 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2520 -2.6930 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -1.5410 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -0.3080 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -0.2090 -4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -1.3450 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -2.5860 -4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 -2.6740 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -4.0620 -5.9740 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -5.1400 -5.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 -4.3660 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -1.2510 -6.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -0.8250 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.6020 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 1.3170 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 1.4800 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.0570 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.4800 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.8790 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -2.4260 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -2.7560 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -3.0830 5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 -2.3830 4.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -2.0570 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -1.8990 6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 -3.0930 7.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -3.6670 6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -2.0500 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.3240 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 0.5930 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 0.7600 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -3.6390 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -3.5650 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 -5.3120 -6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -4.4370 -4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -0.3320 -6.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -0.8930 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -1.1140 -0.3370 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1280 -2.0380 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.5960 0.1740 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 4 1 0 0 0 0 2 52 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END