PUBCHEM-ZINC02972508 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -2.1190 -0.8570 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.7920 1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -1.4220 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.1570 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 0.1810 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -0.7360 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -1.9960 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.3770 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -3.6530 0.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -4.2180 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -4.7710 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -5.0340 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -4.4980 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -6.3750 -1.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6720 -5.5230 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -7.3990 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -8.0710 -2.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -7.3850 -3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -6.1740 -2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -8.1700 -4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -7.7070 -4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -8.7300 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -9.9440 -5.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -9.8450 -4.2520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -7.0230 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -6.5170 -4.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -7.1270 -5.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -8.2330 -5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -8.7540 -3.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -8.1430 -2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 0.0480 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -1.3240 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -0.6220 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 0.5970 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 1.1640 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -0.4760 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.7050 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -3.4740 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -5.0210 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -3.9700 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -5.3060 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -5.7610 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -4.2360 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -5.3440 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -3.9950 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -8.1790 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -6.8980 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -9.0720 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -6.6750 -4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -8.5820 -6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -10.8860 -6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -5.6520 -4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -6.7520 -6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -8.7450 -5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -8.6080 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -5.7570 -0.8110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3200 -6.5130 -0.3650 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 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 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 56 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 14 56 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END