PUBCHEM-ZINC05159548 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.7790 2.5500 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 2.3260 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 2.8440 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 2.5500 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 1.7570 -3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.3090 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.5980 -1.6450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9720 1.4070 -5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.4540 -5.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 3.0450 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 4.5120 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 5.7210 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 5.9880 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 7.1670 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5540 7.3910 -0.7920 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.0610 6.4800 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8620 8.5310 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7040 9.3250 -0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 3.5410 -0.7400 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5260 2.1250 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 2.0700 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 3.6200 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 0.7050 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 0.9710 -5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 2.3050 -5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.2560 -6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 3.3210 -4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 2.2540 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 3.6120 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 4.6860 -3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 5.5560 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 6.6080 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 6.1940 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 5.0920 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 6.9800 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6000 8.0800 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 1.2410 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 4.2650 -2.7860 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1750 4.0990 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 5.0840 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 8.5220 1.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.2270 7.7910 -2.0880 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.8840 7.1020 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5960 8.1660 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7820 8.6300 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 7 1 M CHG 1 19 -1 M CHG 1 38 1 M CHG 1 41 -1 M CHG 1 42 1 M END