PUBCHEM-ZINC05334457 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.0310 1.4620 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.0030 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.7420 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.6930 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.0100 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.6710 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.0660 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.7690 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.0840 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.8000 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -4.2030 -4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -4.8350 -6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -4.1220 -7.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.6320 -8.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -3.7510 -9.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.1260 -8.8580 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.7920 -7.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.1450 -6.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -4.0880 -10.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -3.0710 -11.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -3.3880 -13.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -4.7200 -13.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -5.7350 -12.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -5.4240 -11.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -5.0380 -15.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -3.9760 -16.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -6.4340 -15.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -5.9740 -8.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.8270 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.8300 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.8200 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.0380 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -1.3700 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -1.3680 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.0900 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1240 -4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.8490 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.6280 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -4.7700 -4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -5.9150 -6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.0360 -11.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.6020 -14.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -6.7680 -13.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -6.2130 -10.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -3.6110 -16.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -4.3700 -16.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -3.1570 -15.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -7.0830 -14.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -6.6940 -16.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -6.5630 -16.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -6.3640 -8.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 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 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 13 1 M END