PUBCHEM-ZINC04306015 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 0.2670 0.5830 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.7380 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 2.1390 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 3.0110 3.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 2.3260 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 1.9240 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 3.4540 4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 4.8120 5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 5.2100 6.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 4.2840 7.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 3.0000 6.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 2.5850 5.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 2.0660 7.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 2.5040 8.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 1.2840 9.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 1.7420 11.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 0.9420 13.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -0.0900 11.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 6.5530 6.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 5.8110 4.1090 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8600 6.3010 3.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 6.1420 4.1910 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0780 -0.1130 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.4350 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 0.0800 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 2.6290 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 1.0680 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 1.2450 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 2.6730 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 1.4340 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 2.9960 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 1.3900 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 2.8180 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 1.1220 7.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 3.0360 9.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 3.1680 8.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 0.7530 9.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 0.6210 9.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 2.2730 11.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 2.4050 10.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 1.6800 13.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 1.3650 13.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 0.0560 13.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1780 -0.4170 10.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 0.6120 10.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 -0.9530 11.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 7.2220 5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 6.8230 7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 1.0520 1.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 0.5700 11.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 49 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 50 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 50 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 50 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END