PUBCHEM-ZINC06471089 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.6640 1.4700 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 0.2060 -1.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0670 0.4660 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -0.2940 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -1.1220 0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.8190 -2.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.7320 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.6570 -3.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2670 -4.0570 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -5.0270 -3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -4.2180 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -3.3770 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -1.8980 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -3.4650 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -3.9430 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -2.0640 -4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -2.1260 -4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -1.3500 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -1.0080 -6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.3890 -8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -1.0190 -8.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 0.0130 -9.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 1.1870 -9.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 0.9390 -8.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -0.0470 -10.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -1.3720 -10.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -2.5840 -10.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.3790 -9.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -3.3180 -8.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 1.2880 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.8300 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 2.2710 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.7550 -3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -3.9300 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -5.2810 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -1.3250 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -1.4730 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -4.5020 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -2.8820 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -3.0800 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -3.8660 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -3.4100 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -5.0010 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.4410 -5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.0060 -5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.9140 -7.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.3310 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -0.0170 -11.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 0.8010 -10.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -1.5430 -11.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -1.2830 -9.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -2.7820 -11.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -3.4700 -10.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 0.1910 0.2010 O 0 5 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 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 54 -1 M END