PUBCHEM-ZINC05761713 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.6420 1.4160 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -0.0550 0.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7550 -0.4080 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.2040 2.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -0.9270 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.0290 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -2.1370 -0.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0990 0.3450 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.2390 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -1.4260 -4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -1.9690 -5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -1.3620 -5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.1660 -5.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.3760 -4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 0.4900 -5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.0130 -6.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -1.1970 -7.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -1.8790 -7.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.0610 -7.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -3.5620 -8.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -2.9040 -9.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.7110 -8.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -1.1030 -9.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 -1.6420 -10.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -2.8110 -11.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -3.4380 -10.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 2.0780 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 1.7000 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 1.6190 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -1.4450 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 0.2300 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -1.0970 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -0.4680 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.3980 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 0.2830 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -1.9450 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -2.8950 -5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.2990 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.4110 -5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 0.5610 -7.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -3.6360 -7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.4800 -9.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -0.1850 -8.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -1.1410 -10.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 -3.2350 -11.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -4.3560 -10.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.3550 -1.2020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5000 -0.4630 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.3470 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 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 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 7 -1 M CHG 1 47 1 M END