PUBCHEM-ZINC06380115 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.0940 1.7760 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.2640 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -0.2390 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -1.6900 -0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -2.4040 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -2.1450 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -3.4990 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -3.9160 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -3.0010 0.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -1.7300 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -1.3010 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -0.8120 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -5.2460 0.6010 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9090 -5.6700 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -4.6360 0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -4.6840 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -6.0920 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -6.5040 -0.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2780 -6.9810 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -7.4860 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -5.3460 -1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 -5.4850 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -5.3670 -3.2470 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -4.1110 -2.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 2.1340 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.9970 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 2.2730 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.2320 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 0.0430 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 0.2580 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -0.0170 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -2.0780 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -3.4770 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -2.1890 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -1.1070 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 0.1250 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -6.6970 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -6.9820 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -5.5360 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 -7.0370 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -7.7200 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -8.4020 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -6.4550 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -4.6930 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -6.6240 -2.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -5.3710 -4.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -5.3100 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -7.4820 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 13 1 M END