59 70 0 0 0 0 0 0 0 0 1 V2000 -2.8546 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -2.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 2.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 2.4276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -2.4276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9205 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 12 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 13 1 0 8 21 1 0 16 22 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 28 1 0 29 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 33 1 0 34 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 35 1 0 30 43 1 0 38 44 1 0 44 45 1 0 45 43 1 0 22 46 1 0 46 21 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 47 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 54 1 0 46 52 1 0 45 59 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09842741 > ALDRICH > 682985 > - > - > - > - > 20962635 $$$$ 57 66 0 0 0 0 0 0 0 0 1 V2000 1.6545 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7929 -2.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 -2.2920 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.8907 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -3.2042 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -3.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -3.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -4.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -5.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -5.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -5.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -4.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -5.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -5.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6876 -4.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 -4.1045 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5459 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -4.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 -3.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -4.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9886 -3.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 24 23 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 57 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 32 1 0 0 0 0 33 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 38 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 39 1 0 0 0 0 34 47 1 0 0 0 0 42 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 56 49 1 0 0 0 0 20 13 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 50 52 1 0 0 0 0 M RAD 8 24 2 26 2 50 2 51 2 52 2 53 2 54 2 55 2 M RAD 2 56 2 57 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SAL 1 1 52 M SBL 1 2 66 2 M SMT 1 C• M SBV 1 66 -0.6900 0.1700 M SBV 1 2 -0.3900 -0.3000 M SAL 2 1 53 M SBL 2 2 1 2 M SMT 2 C• M SBV 2 1 -0.6000 0.0000 M SBV 2 2 0.3900 0.3000 M SAL 3 1 50 M SBL 3 2 64 66 M SMT 3 C• M SBV 3 64 -0.6600 -0.2100 M SBV 3 66 0.6900 -0.1700 M SAL 4 1 54 M SBL 4 2 4 6 M SMT 4 C• M SBV 4 4 -0.6600 0.2400 M SBV 4 6 0.6800 0.2000 M SAL 5 1 55 M SBL 5 2 5 7 M SMT 5 C• M SBV 5 5 -0.3500 -0.3000 M SBV 5 7 0.6000 -0.0100 M SAL 6 1 51 M SBL 6 2 65 1 M SMT 6 C• M SBV 6 65 -0.3600 0.2600 M SBV 6 1 0.6000 0.0000 M SAL 7 1 56 M SBL 7 3 6 8 58 M SMT 7 C• M SBV 7 6 -0.6800 -0.2000 M SBV 7 8 -0.3900 0.3300 M SBV 7 58 0.8500 0.0000 M SAL 8 1 57 M SBL 8 2 7 8 M SMT 8 C• M SBV 8 7 -0.6000 0.0100 M SBV 8 8 0.3900 -0.3300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10566988 > ALDRICH > 682950 > - > - > - > - > 20962635 $$$$ 62 74 0 0 0 0 0 0 0 0 1 V2000 -3.1464 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -1.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 2.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 1.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 2.4277 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.4277 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 2.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 12 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 13 1 0 8 21 1 0 16 22 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 28 1 0 29 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 33 1 0 34 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 35 1 0 30 43 1 0 38 44 1 0 44 45 1 0 45 43 1 0 22 46 1 0 46 21 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 47 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 54 1 0 46 52 1 0 45 59 1 0 50 60 1 0 60 55 1 0 60 61 1 0 60 62 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09842740 > ALDRICH > 682869 > - > - > - > - > 20962635 $$$$ 62 74 0 0 0 0 0 0 0 0 1 V2000 -3.1464 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -1.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 2.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 1.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 2.4277 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.4277 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 2.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 12 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 13 1 0 8 21 1 0 16 22 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 28 1 0 29 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 33 1 0 34 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 35 1 0 30 43 1 0 38 44 1 0 44 45 1 0 45 43 1 0 22 46 1 0 46 21 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 47 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 54 1 0 46 52 1 0 45 59 1 0 50 60 1 0 60 55 1 0 60 61 1 0 60 62 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09842740 > ALDRICH > 682977 > - > - > - > - > 20962635 $$$$ 57 66 0 0 0 0 0 0 0 0 1 V2000 1.6545 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7929 -2.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 -2.2920 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.8907 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -3.2042 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -3.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -3.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -4.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -5.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 -5.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -5.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -4.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 -5.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -5.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6876 -4.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 -4.1045 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5459 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -4.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 -3.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -4.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9886 -3.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 24 23 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 57 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 32 1 0 0 0 0 33 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 38 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 39 1 0 0 0 0 34 47 1 0 0 0 0 42 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 56 49 1 0 0 0 0 20 13 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 50 52 1 0 0 0 0 M RAD 8 24 2 26 2 50 2 51 2 52 2 53 2 54 2 55 2 M RAD 2 56 2 57 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SAL 1 1 52 M SBL 1 2 66 2 M SMT 1 C• M SBV 1 66 -0.6900 0.1700 M SBV 1 2 -0.3900 -0.3000 M SAL 2 1 53 M SBL 2 2 1 2 M SMT 2 C• M SBV 2 1 -0.6000 0.0000 M SBV 2 2 0.3900 0.3000 M SAL 3 1 50 M SBL 3 2 64 66 M SMT 3 C• M SBV 3 64 -0.6600 -0.2100 M SBV 3 66 0.6900 -0.1700 M SAL 4 1 54 M SBL 4 2 4 6 M SMT 4 C• M SBV 4 4 -0.6600 0.2400 M SBV 4 6 0.6800 0.2000 M SAL 5 1 55 M SBL 5 2 5 7 M SMT 5 C• M SBV 5 5 -0.3500 -0.3000 M SBV 5 7 0.6000 -0.0100 M SAL 6 1 51 M SBL 6 2 65 1 M SMT 6 C• M SBV 6 65 -0.3600 0.2600 M SBV 6 1 0.6000 0.0000 M SAL 7 1 56 M SBL 7 3 6 8 58 M SMT 7 C• M SBV 7 6 -0.6800 -0.2000 M SBV 7 8 -0.3900 0.3300 M SBV 7 58 0.8500 0.0000 M SAL 8 1 57 M SBL 8 2 7 8 M SMT 8 C• M SBV 8 7 -0.6000 0.0100 M SBV 8 8 0.3900 -0.3300 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD10566988 > ALDRICH > 682942 > - > - > - > - > 20962635 $$$$ 59 70 0 0 0 0 0 0 0 0 1 V2000 -2.8546 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -2.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 2.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 1.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 2.4276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -2.4276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9205 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 12 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 13 1 0 8 21 1 0 16 22 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 28 1 0 29 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 33 1 0 34 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 35 1 0 30 43 1 0 38 44 1 0 44 45 1 0 45 43 1 0 22 46 1 0 46 21 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 47 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 54 1 0 46 52 1 0 45 59 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD09842741 > ALDRICH > 682993 > - > - > - > - > 20962635 $$$$