PUBCHEM-ZINC05976658 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.2970 1.3280 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.0410 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.2140 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -1.1410 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.2000 -1.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4090 -1.2440 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 0.6910 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.7160 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 1.2800 -3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.3270 -4.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 1.8640 -4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 1.8850 -6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 1.3730 -7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 0.8440 -6.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 0.8130 -5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 0.2920 -5.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.2260 -4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.3590 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -1.2010 -4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.7960 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -2.6010 -5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -3.1940 -7.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -3.0040 -8.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -2.2200 -8.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -1.6280 -7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -0.8980 -7.1200 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.0530 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 1.8370 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 1.2260 -1.8450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4120 2.1550 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 1.4790 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 1.4100 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.2310 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -1.1530 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 0.6090 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -1.0190 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -2.1380 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.1180 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 1.7240 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 0.3280 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 2.2660 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 2.3000 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 1.3820 -8.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 0.4430 -7.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -1.5220 -4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -2.7610 -5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -3.8010 -7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -3.4690 -9.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -2.0700 -9.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.5000 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 1.1150 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 2.8720 -1.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 9 28 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 2 0 0 0 0 M CHG 1 29 -1 M END