PUBCHEM-ZINC02457541 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.5510 1.1710 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 0.5150 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 1.1230 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 2.2970 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 2.8740 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 2.3330 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 3.0660 3.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 4.1340 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 4.0150 1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 0.5690 -1.8790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2930 0.4580 -2.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 0.2330 -2.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.7900 0.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6810 -1.4450 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -1.5740 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -1.3650 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -2.5310 1.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -3.3730 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -4.0230 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -5.2490 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -5.5750 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -4.5820 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -1.9460 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -1.7150 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -0.7220 -1.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 0.5600 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 0.3630 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -0.9710 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 -0.2030 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 0.8040 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 2.7550 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 5.0880 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 4.1340 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -2.6770 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.7610 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -3.3530 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -4.3520 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -5.0310 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -6.0900 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -5.4460 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -6.6090 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -5.0160 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -4.3470 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -2.3970 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.5800 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -1.3360 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -2.6590 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 1.0540 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 1.2030 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 1.3150 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -0.0570 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 -1.9720 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -0.6120 -0.5330 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.2080 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 53 1 M END