PUBCHEM-ZINC05558519 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 1.7080 2.0210 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.6230 -0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -0.1250 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 0.3550 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.5250 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -1.8930 -3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.3820 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.4940 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -3.7770 -2.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -4.4780 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -4.0390 0.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -5.9790 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -8.0060 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -8.5080 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -8.3340 2.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -7.0170 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -6.5300 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -9.3670 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -9.1560 3.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -10.1770 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -11.4130 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -11.5480 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -10.5560 3.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -2.8420 -4.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -2.3850 -5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 2.2220 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 2.4880 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 2.4660 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 1.4100 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -0.1030 -4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.8320 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -4.2720 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -6.2070 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -6.4180 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -7.9790 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -8.6330 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -9.5480 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -7.9380 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -6.9980 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -6.3140 2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -7.1590 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -5.4890 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -9.9570 3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -12.2200 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -12.4840 3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -1.6950 -6.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -1.9300 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -3.2560 -6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -6.5980 0.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7370 -5.9810 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END