PUBCHEM-ZINC05761704 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 0 0 1 0 0 0 0 0999 V2000 -0.8750 1.4880 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 0.1130 0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9140 0.1480 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 0.4600 2.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.3320 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -1.0360 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -2.1590 -0.0990 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1710 0.0800 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.4620 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.7010 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -2.5080 -3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -3.7070 -4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -4.1460 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -3.3900 -6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.1660 -5.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4080 -5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.8090 -7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -1.0840 -7.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 0.0870 -6.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 0.8140 -7.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 1.9870 -6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.4440 -5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 1.7290 -5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 0.5340 -5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -0.2050 -5.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 0.2730 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 1.4710 -3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 2.1830 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.2590 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 1.5010 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 1.7830 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.8040 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 0.9160 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.9570 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.7250 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 1.1720 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.2380 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -2.2370 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -4.2890 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -5.0770 -6.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -3.7990 -6.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.7140 -7.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -1.4550 -8.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 0.4710 -8.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 2.5440 -7.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 3.3630 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 1.8980 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 3.0980 -3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.3050 -1.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4560 -0.2290 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -1.3450 -1.1120 H 0 0 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 6 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 49 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 7 -1 M CHG 1 49 1 M END