PUBCHEM-ZINC04764399 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.6110 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.0490 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -2.1150 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.5280 2.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -3.8370 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -4.6740 1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -4.2610 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -5.7240 3.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -6.3330 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -5.6710 5.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -7.8380 4.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5750 -8.2160 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -8.4040 4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -9.9320 4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -10.6040 4.9610 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -12.3950 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -8.2500 6.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -9.4480 6.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -10.1850 5.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -9.8270 7.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -11.1290 7.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 -11.3790 8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -11.9950 9.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -12.2240 10.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 -11.8380 11.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -11.2230 9.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 -10.9980 8.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.5190 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.4930 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -1.8580 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -3.8580 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -3.8840 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -6.2540 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -8.0990 5.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -8.0260 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -10.2380 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -10.3110 5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -12.6390 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -12.7120 5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -12.9100 4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -7.6610 6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -11.9000 7.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -11.1550 6.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -12.2970 9.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -12.7050 11.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1270 -12.0170 11.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -10.9210 10.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 -10.5210 7.9730 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END