PUBCHEM-ZINC05353612 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 57 0 0 1 0 0 0 0 0999 V2000 0.5240 1.0900 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 0.3730 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.1510 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 0.7870 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.8170 -1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.6130 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 0.0650 -1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 1.1220 -3.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 1.0450 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -0.3160 -3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -0.4560 -4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -1.8750 -4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.1170 -4.8090 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5200 -1.4230 -5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2740 -3.5800 -5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 -4.2280 -4.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7220 -0.7880 -3.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3720 0.0270 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 -1.1700 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5030 -1.2730 -4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6550 -0.1110 -5.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9210 -0.1980 -7.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0350 -1.4450 -7.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 -2.6060 -6.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 -2.5210 -5.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 -0.3150 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -0.9310 -1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 0.7820 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 2.1740 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 0.8810 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -1.5020 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -1.6430 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.5000 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 1.8710 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 0.3230 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 0.5040 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.5540 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 1.8470 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 1.2220 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -1.1080 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -0.4620 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 0.2690 -4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 -0.2220 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -2.5990 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -2.0700 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8640 -0.4290 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4260 -2.1130 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5610 0.8700 -5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 0.7070 -7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 -1.5150 -8.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 -3.5810 -7.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5140 -3.4400 -5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 -3.9120 -6.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8000 -1.9660 -3.4910 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1840 -1.9400 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 -2.9090 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3220 0.5710 -1.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 54 1 0 0 0 0 15 16 2 0 0 0 0 15 53 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 54 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 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 1 M CHG 1 57 -1 M END