PUBCHEM-ZINC05811126 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.0380 0.3010 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.8450 1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.7330 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 0.4690 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 0.5370 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.5920 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -1.7910 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -1.9000 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -3.1250 -0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -3.9310 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -4.3400 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -4.0740 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -3.6810 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -5.5690 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -6.9430 1.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9440 -6.8380 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -7.8260 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -9.0430 2.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -9.9550 2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -11.0680 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -12.0780 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -11.9720 4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -10.8670 4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -9.8610 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -13.0240 4.8000 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.5600 -13.9820 4.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -12.8910 6.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0600 -7.5600 1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -8.4970 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 0.6170 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 1.1180 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0210 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.3800 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.4730 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.5460 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -2.6660 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -3.3870 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -4.8240 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -3.4690 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -5.0570 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -4.6190 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -3.2040 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -4.5770 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -3.0080 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -4.8690 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -5.6820 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -8.0510 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -7.3180 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -11.1490 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -12.9280 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -10.7690 5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -9.0210 4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -4.9980 1.1860 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3300 -5.8550 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 53 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 53 1 M END