PUBCHEM-ZINC04548686 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -1.1370 2.1040 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.6940 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -0.0720 1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -1.3800 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -1.9320 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -3.2380 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -4.0470 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -5.4000 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -6.1540 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -5.6060 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -4.3000 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -3.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -2.1390 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -1.5290 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -0.5570 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -0.8730 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 0.2750 3.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 1.3350 2.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 0.3520 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 0.8380 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 1.5490 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -2.2600 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -0.8040 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -0.8440 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -0.0640 -3.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 0.4770 -2.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 0.0960 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 0.0380 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 0.3430 -1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 -1.6240 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 2.6670 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 2.6080 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 2.0430 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.7520 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 0.2140 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.3130 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -3.6510 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -5.8380 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -7.1940 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -6.2270 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -3.8880 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -2.3160 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 1.7520 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -2.5070 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -2.2980 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 -2.9780 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.2080 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 -0.9770 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -1.9900 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1780 -2.4690 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END