PUBCHEM-ZINC01113834 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.9870 1.7020 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 0.2660 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -0.3600 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -1.7990 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.5880 -0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -2.0410 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -0.5880 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -3.9230 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -4.9080 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -6.2720 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -6.7090 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -5.7420 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -4.3660 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -3.4730 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -2.5190 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -2.2310 -2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -1.9950 -0.8020 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0910 -2.6770 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 -0.5640 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -0.1570 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 -0.8560 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -2.0910 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -2.1860 0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9950 -1.4200 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -3.4770 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 -4.2670 1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -8.1830 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -8.5130 0.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9530 1.7420 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 2.1550 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 2.3170 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 0.2890 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.3340 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.2280 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -2.2280 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.8040 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.6230 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -2.1020 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -0.1720 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -0.5510 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -4.6120 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -6.9980 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -6.0830 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 -0.4840 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 0.1270 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 0.7400 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 -0.5230 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -2.9780 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 -2.0280 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -8.9860 0.0630 O 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 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 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 13 2 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 25 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 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 27 50 2 0 0 0 0 M CHG 1 28 -1 M END