PUBCHEM-ZINC03678575 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 1 0 0 0 0 0999 V2000 -0.1010 0.9110 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -0.3270 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.7350 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -0.0840 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -0.5890 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -1.7640 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -2.4160 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.9060 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -2.6380 0.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7900 -2.0100 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -3.1110 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -4.3650 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -4.3870 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -5.3620 4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -5.0360 5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -3.7610 6.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -2.7760 5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -3.1170 3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -2.3560 2.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -1.3880 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -5.4320 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -4.8220 -0.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0860 -4.2400 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -5.9040 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -5.9050 -2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -6.8090 -1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -7.8560 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -2.3030 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -1.5650 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -2.0920 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4640 -3.3610 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -4.1040 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -3.5790 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 1.1070 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 0.8530 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.7370 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 0.8220 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -0.0600 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -3.3260 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -6.3600 4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -5.7860 6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -3.5270 7.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -1.7840 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -5.9910 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -6.1460 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -8.5250 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -8.4290 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -7.4400 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -0.5750 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6130 -1.5120 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 -3.7710 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -5.0930 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -4.1740 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.8250 -0.8130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8390 -4.3250 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -3.4910 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 54 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 54 1 M END