PUBCHEM-ZINC05729993 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.2130 1.5240 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 0.0100 0.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5550 -0.5110 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -0.3620 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -1.8480 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -2.2930 1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -1.9540 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -0.0920 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -0.3540 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -1.5620 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -2.3370 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -1.8270 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -1.0140 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 0.1570 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 0.9780 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 2.1530 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 2.3830 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 1.5810 0.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 3.1140 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6160 4.1550 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 5.0470 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 4.9020 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 3.8660 4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 2.9710 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 0.7390 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 1.8770 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 1.8130 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 2.0600 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -0.0790 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 0.2090 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -2.4190 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.0570 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -3.3750 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.8140 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -2.4750 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -2.2190 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.6030 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 0.9800 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 -2.7050 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5200 -1.2180 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 3.2180 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 4.2800 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9090 5.8560 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9790 5.5990 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 3.7550 5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 2.1640 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4540 1.4260 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.4600 0.3050 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7050 0.0300 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 19 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 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 43 1 0 0 0 0 22 23 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 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END