13 12 0 0 0 0 0 0 0 0 1 V2000 6.5249 -4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -4.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4499 -5.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -5.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -8.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 -7.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3791 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -6.4166 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 -6.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -6.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 4 5 1 0 0 0 0 11 13 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 M RAD 2 9 2 10 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009949 > ALDRICH > 260924 > FLUKA > 72515 > - > - > 16247938 $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 -3.2462 0.0000 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 -0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 0.7120 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6572 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 5 M SMT 1 OCH3 M SBV 1 5 -5.7024 5.4742 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 9 10 M SBL 2 1 7 M SMT 2 ^OCH3 M SBV 2 7 -7.1289 5.0617 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013404 > FLUKA > 72512 > - > - > - > - > 16247938 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.0001 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.7499 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -0.7499 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9998 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011128 > ALDRICH > 383031 > - > - > - > - > 16247938 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0011 -0.4545 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 -1.2057 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 -1.2057 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.2057 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 0.2964 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 0.2964 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011127 > RIEDEL > 10439 > - > - > - > - > 16247938 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 5.7375 -7.2125 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -7.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -7.7167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -6.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -6.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -4.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -4.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 -5.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0834 -5.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 1 4 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M RAD 5 6 2 7 2 8 2 9 2 10 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00070445 > ALDRICH > 498912 > - > - > - > - > 16247938 $$$$ 90100 0 0 0 0 0 0 0 0 1 V2000 1.4319 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 -2.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 -1.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -2.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -3.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 -4.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0068 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -2.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 -1.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.6542 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 9.2723 -1.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 -2.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5586 -2.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8422 -2.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 -1.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5604 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 -2.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5587 -0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 -0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5609 1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2723 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 -3.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4205 -4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -3.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6972 -2.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 -2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1227 -1.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -0.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.8708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -0.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -7.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 -7.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -7.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -6.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3354 -6.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 -7.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 -5.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 -4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -3.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 -4.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -4.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7652 -8.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 -9.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 -8.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 -7.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -7.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7732 -6.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.6792 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 -6.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3776 -7.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 -7.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9463 -7.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9492 -6.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 -6.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2354 -7.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6629 -5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9467 -5.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9488 -4.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -3.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 -4.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -5.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2348 -8.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5247 -9.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8016 -8.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8014 -7.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -7.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 -6.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -5.8542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -5.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0758 0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3604 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 20 42 1 0 0 0 0 5 19 1 0 0 0 0 43 44 2 0 0 0 0 19 20 1 0 0 0 0 44 45 1 0 0 0 0 8 9 2 0 0 0 0 45 46 2 0 0 0 0 3 4 2 0 0 0 0 46 47 1 0 0 0 0 21 22 2 0 0 0 0 47 48 2 0 0 0 0 48 43 1 0 0 0 0 9 10 1 0 0 0 0 46 49 1 0 0 0 0 22 23 1 0 0 0 0 48 50 1 0 0 0 0 50 51 2 0 0 0 0 23 24 2 0 0 0 0 51 52 1 0 0 0 0 10 11 2 0 0 0 0 52 53 2 0 0 0 0 24 25 1 0 0 0 0 53 54 1 0 0 0 0 4 5 1 0 0 0 0 54 55 2 0 0 0 0 55 50 1 0 0 0 0 25 26 2 0 0 0 0 49 56 2 0 0 0 0 26 21 1 0 0 0 0 56 57 1 0 0 0 0 11 12 1 0 0 0 0 57 58 2 0 0 0 0 24 27 1 0 0 0 0 58 59 1 0 0 0 0 1 2 2 0 0 0 0 59 60 2 0 0 0 0 60 49 1 0 0 0 0 26 28 1 0 0 0 0 47 61 1 0 0 0 0 12 13 2 0 0 0 0 61 62 1 0 0 0 0 28 29 2 0 0 0 0 13 8 1 0 0 0 0 63 64 2 0 0 0 0 29 30 1 0 0 0 0 64 65 1 0 0 0 0 5 6 2 0 0 0 0 65 66 2 0 0 0 0 30 31 2 0 0 0 0 66 67 1 0 0 0 0 7 14 2 0 0 0 0 67 68 2 0 0 0 0 68 63 1 0 0 0 0 31 32 1 0 0 0 0 66 69 1 0 0 0 0 6 1 1 0 0 0 0 68 70 1 0 0 0 0 32 33 2 0 0 0 0 70 71 2 0 0 0 0 33 28 1 0 0 0 0 71 72 1 0 0 0 0 14 15 1 0 0 0 0 72 73 2 0 0 0 0 27 34 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 70 1 0 0 0 0 34 35 1 0 0 0 0 69 76 2 0 0 0 0 15 16 2 0 0 0 0 76 77 1 0 0 0 0 35 36 2 0 0 0 0 77 78 2 0 0 0 0 4 7 1 0 0 0 0 78 79 1 0 0 0 0 36 37 1 0 0 0 0 79 80 2 0 0 0 0 80 69 1 0 0 0 0 16 17 1 0 0 0 0 67 81 1 0 0 0 0 62 81 1 0 0 0 0 37 38 2 0 0 0 0 62 82 1 0 0 0 0 38 27 1 0 0 0 0 62 83 1 0 0 0 0 2 3 1 0 0 0 0 62 84 1 0 0 0 0 25 39 1 0 0 0 0 20 39 1 0 0 0 0 85 86 2 0 0 0 0 17 18 2 0 0 0 0 86 87 1 0 0 0 0 20 40 1 0 0 0 0 87 88 2 0 0 0 0 18 7 1 0 0 0 0 88 89 1 0 0 0 0 20 41 1 0 0 0 0 89 90 2 0 0 0 0 90 85 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03093930 > ALDRICH > 535540 > - > - > - > - > 16247938 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 1.1250 0.0001 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -1.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 0.0001 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014230 > ALDRICH > 400653 > - > - > - > - > 16247938 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 5.8583 -5.9625 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -6.1750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -6.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 M RAD 8 4 2 5 2 8 2 9 2 10 2 11 2 12 2 13 2 M RAD 2 14 2 15 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03427138 > ALDRICH > 553948 > - > - > - > - > 16247938 $$$$ 17 26 0 0 0 0 0 0 0 0 1 V2000 0.9986 0.1760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 0.1760 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 0.1760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 3.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 -1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 -1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 3.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7014 -0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701523 > ALDRICH > 553956 > - > - > - > - > 16247938 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 5.2354 -3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -3.3208 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 6.5205 -3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -2.7229 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7333 -2.6208 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 M CHG 2 4 -1 5 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011080 > ALDRICH > 254290 > - > - > - > - > 16247938 $$$$ 42 44 0 0 0 0 0 0 0 0 1 V2000 3.9875 -3.1500 0.0000 Nb 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -1.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9913 -0.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -1.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -4.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -4.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0805 -4.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 -3.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3636 -2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -3.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 -4.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -5.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 -5.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -3.7333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5628 -3.1452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9923 -5.6157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9362 -4.6248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3610 -2.1505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7041 -1.9186 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8497 -1.9213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0545 -1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -2.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9955 -6.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 -5.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0742 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 -1.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 20 21 1 0 0 0 0 10 11 1 0 0 0 0 21 22 2 0 0 0 0 22 7 1 0 0 0 0 2 6 1 0 0 0 0 1 23 1 0 0 0 0 11 12 2 0 0 0 0 1 24 1 0 0 0 0 12 5 1 0 0 0 0 18 25 1 0 0 0 0 1 2 1 0 0 0 0 22 26 1 0 0 0 0 6 13 2 0 0 0 0 13 27 1 0 0 0 0 4 7 1 0 0 0 0 17 28 1 0 0 0 0 13 14 1 0 0 0 0 8 29 1 0 0 0 0 1 4 1 0 0 0 0 12 30 1 0 0 0 0 14 15 2 0 0 0 0 30 31 1 0 0 0 0 5 8 2 0 0 0 0 30 32 1 0 0 0 0 15 16 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 16 17 2 0 0 0 0 26 35 1 0 0 0 0 17 6 1 0 0 0 0 26 36 1 0 0 0 0 8 9 1 0 0 0 0 27 37 1 0 0 0 0 7 18 2 0 0 0 0 27 38 1 0 0 0 0 3 5 1 0 0 0 0 28 39 1 0 0 0 0 18 19 1 0 0 0 0 28 40 1 0 0 0 0 9 10 2 0 0 0 0 29 41 1 0 0 0 0 19 20 2 0 0 0 0 29 42 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03093878 > ALDRICH > 481661 > - > - > - > - > 16247938 $$$$