PUBCHEM-ZINC02844373 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.4290 1.4990 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.0130 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.4780 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.8410 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.7120 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.2210 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -0.8580 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.4490 -0.0280 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -4.9970 -1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.6160 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -5.0440 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -5.4420 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -6.9230 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -7.5810 -0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -7.5170 -2.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -8.9560 -2.5520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4890 -9.4660 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -9.2130 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -9.4800 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -10.7040 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -11.1840 -3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -10.4390 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -9.2140 -5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -8.7320 -4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -5.1650 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -4.3350 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -4.4580 3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -5.4050 3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -6.2320 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -6.1110 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -7.2450 3.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1850 -7.3490 4.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -7.9740 2.2150 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5570 1.9120 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 1.6880 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.9710 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.2030 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -2.2250 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -2.9020 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.4750 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -5.2110 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -4.8990 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -6.9910 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -10.2840 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -8.7030 -4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -8.8340 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -11.2870 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -12.1420 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 -10.8150 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 -8.6320 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -7.7730 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -3.5960 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -3.8130 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -5.4990 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -6.7550 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END