PUBCHEM-ZINC03793034 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -1.0790 1.4810 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 0.5620 0.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1700 1.1660 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.4100 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.5530 1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 0.0600 1.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 1.3330 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 2.0320 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 1.1680 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.2240 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -0.8120 1.8060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7030 -1.8040 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -1.0230 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -0.2280 3.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -0.0280 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 0.9710 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.7250 -1.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4350 -0.9860 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -1.9490 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -3.1140 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -4.3390 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -5.2870 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -6.3990 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -6.5710 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -5.6340 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -4.5210 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 0.3320 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 1.2140 -2.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 2.0410 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 2.2090 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 0.9100 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 2.0080 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 3.0140 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 2.2090 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 1.6490 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 1.0940 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -0.8850 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 0.3390 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -0.9890 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 0.5230 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 1.8720 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -1.6750 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -2.2840 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -3.3570 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -2.8400 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -5.1550 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 -7.1260 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 -7.4330 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 -5.7670 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -3.7900 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.9510 3.8020 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7700 -0.1670 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 0.5360 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.1800 -3.6570 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 51 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 51 -1 M CHG 1 54 -1 M END