PUBCHEM-ZINC05976655 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.1120 1.0650 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.3950 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -0.9670 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -1.2120 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.5300 -1.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9750 -1.6080 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 0.0660 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 0.0450 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 0.2210 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 0.1980 -4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 0.3610 -4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 0.3320 -5.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 0.1430 -6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -0.0160 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 0.0090 -5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -0.1430 -5.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -0.1190 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.2660 -3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.7070 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.8970 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 0.1840 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 0.0060 -4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -1.2530 -4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.3320 -4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -2.1570 -4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 -1.4410 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -0.4180 -4.6480 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0510 0.0870 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 0.4380 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 -0.4750 -1.3940 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7830 1.6950 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 1.5060 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.1250 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -1.0010 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -1.9880 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.3550 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.7900 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.2500 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.2300 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 1.1060 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -0.5120 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.5040 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 0.4550 -5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 0.1180 -7.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -0.1620 -7.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.9630 -5.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 1.1710 -5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 0.8560 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -3.3160 -4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -3.0040 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -0.2520 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 1.1810 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -2.6080 -4.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 1.5170 -1.0000 O 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 53 2 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 54 2 0 0 0 0 M CHG 1 27 -1 M CHG 1 30 -1 M END