PUBCHEM-ZINC03736305 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.3570 1.5660 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.0710 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.7070 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.1130 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.7340 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -1.9350 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.5420 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.7620 -2.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -2.4350 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -4.0620 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -4.0790 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -5.3560 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.4770 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -5.2480 -2.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0990 -5.2760 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -5.2570 -3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -5.0610 -3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -5.0930 -4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -5.3260 -5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -5.5320 -6.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -5.4990 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -5.7620 -7.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -5.9100 -7.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -5.3770 -6.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 -5.1150 -6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -2.8680 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 2.0060 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9830 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 1.8600 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.2080 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 0.0470 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -5.2270 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -5.6490 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -6.3330 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -7.4590 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.8670 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -4.9310 -4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -5.6610 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -5.0100 -7.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -6.7980 -7.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -6.0510 -8.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -5.8720 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -4.1070 -6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -5.1700 -7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -3.7630 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.1610 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.2620 3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -6.5090 -1.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2500 -7.3120 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -6.6480 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END