15 13 0 0 0 0 0 0 0 0 1 V2000 -1.8094 -0.3558 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -1.8094 0.2442 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2897 -0.6558 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3290 -0.6558 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3851 0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2897 -1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 -0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 -0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 -0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.1333 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -0.1333 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 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09753040 > ALDRICH > 682705 > - > - > - > - > 16245169 $$$$ 33 34 0 0 0 0 0 0 0 0 1 V2000 5.7764 -1.5333 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -1.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -4.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 -4.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 -3.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -3.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -4.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -2.5902 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.5135 -2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7135 -2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0135 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6135 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9135 -2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6135 -2.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0135 -2.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 -2.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 -2.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3135 -2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -4.9902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1135 -5.5881 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 -4.9902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 -4.3923 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 -2.5902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3135 -2.5902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 -3.1881 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -2.5902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5114 -2.5902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9135 -2.5902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5114 -1.9923 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1093 -2.5902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 22 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 10 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 10 1 0 0 0 0 19 26 1 0 0 0 0 14 30 1 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 8 3 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 G 26 19 CF3 G 22 3 CF3 G 30 14 CF3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 4 26 27 28 29 M SBL 1 1 14 M SMT 1 CF3 M SBV 1 14 0.6000 0.0000 M SAL 2 4 22 23 24 25 M SBL 2 1 1 M SMT 2 CF3 M SBV 2 1 0.0000 0.6000 M SAL 3 4 30 31 32 33 M SBL 3 1 15 M SMT 3 CF3 M SBV 3 15 -0.5900 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08705285 > ALDRICH > 665177 > - > - > - > - > 16245169 $$$$ 31 33 0 0 0 0 0 0 0 0 1 V2000 0.2056 0.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 -0.6351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -1.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -3.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 -1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -1.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 -1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6404 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -1.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -0.7815 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.5519 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 3.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 12 1 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 7 18 1 0 18 19 1 0 18 20 1 0 11 21 1 0 21 22 1 0 21 23 1 0 13 24 1 0 24 25 1 0 24 26 1 0 5 27 1 0 27 28 1 0 17 29 1 0 29 30 1 0 29 31 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 20 M SMT 1 ^i-Pr M SBV 1 20 0.7131 -0.4091 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 21 22 23 M SBL 2 1 23 M SMT 2 i-Pr M SBV 2 23 -0.7131 -0.4091 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 24 25 26 M SBL 3 1 26 M SMT 3 i-Pr M SBV 3 26 0.0000 0.8221 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 27 28 M SBL 4 1 29 M SMT 4 AuCl M SBV 4 29 -0.5215 0.6313 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 3 29 30 31 M SBL 5 1 31 M SMT 5 ^i-Pr M SBV 5 31 0.7120 -0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____696277 > ALDRICH > 696277 > - > - > - > - > 16245169 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 9.5279 -1.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0152 -2.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0124 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5222 -2.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0349 -2.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0378 -2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1582 -2.4780 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 11.9185 -2.0613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6521 -2.1863 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.1582 -3.0655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 1 2 2 0 0 0 0 7 9 1 0 0 0 0 2 3 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064726 > ALDRICH > 677876 > - > - > - > - > 16245169 $$$$ 31 34 0 0 0 0 0 0 0 0 1 V2000 5.0230 -3.2995 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -3.2995 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8095 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8095 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 -0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 -4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5145 -4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5145 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1781 -4.1839 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 6.2968 -4.1506 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 -4.7605 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9257 -4.6846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 6 2 0 0 0 0 6 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 4 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 5 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 16 1 0 0 0 0 17 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 17 1 0 0 0 0 2 3 1 0 0 0 0 1 28 1 0 0 0 0 1 3 1 0 0 0 0 2 29 1 0 0 0 0 1 4 1 0 0 0 0 28 30 1 0 0 0 0 2 5 1 0 0 0 0 29 31 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____665185 > ALDRICH > 665185 > - > - > - > - > 16245169 $$$$ 32 30 0 0 0 0 0 0 0 0 1 V2000 1.7723 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 -1.9010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 -1.7583 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 0.0322 -2.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.1604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0500 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 -2.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3947 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8928 -2.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -2.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 -2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 -3.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -3.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -3.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -2.6563 0.0000 Sb 0 5 0 0 0 0 0 0 0 0 0 0 3.7107 -2.1570 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 -2.3781 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 -2.0771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 -3.2771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -2.9771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 -2.9771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -1.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.1208 0.0000 Au 0 3 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 4 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 3 5 1 0 0 0 0 6 5 1 0 0 0 0 4 7 2 0 0 0 0 29 30 3 0 0 0 0 30 31 1 0 0 0 0 7 8 1 0 0 0 0 M CHG 2 22 -1 32 1 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____697575 > ALDRICH > 697575 > - > - > - > - > 16245169 $$$$ 2 1 0 0 0 0 0 0 0 0 1 V2000 -0.7500 0.0000 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014175 > ALDRICH > 398411 > - > - > - > - > 16245169 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.8293 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -3.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8686 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8686 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3864 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3864 -3.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3489 -3.6927 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 5.3629 -4.4344 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 -3.6927 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 3 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____695173 > ALDRICH > 695173 > - > - > - > - > 16245169 $$$$ 48 49 0 0 0 0 0 0 0 0 1 V2000 4.1585 -3.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -4.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1977 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1977 -3.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -3.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 -3.4896 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.7512 -3.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6576 -4.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5023 -5.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9266 -5.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -5.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 -4.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2372 -4.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -2.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6781 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -4.3885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1229 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -3.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 -4.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7886 -2.5896 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0876 -2.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3064 -2.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4896 -3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -0.7927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7512 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9248 -5.2461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0795 -5.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3472 -5.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -4.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9289 -5.7831 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3517 -5.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3517 -6.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -6.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3031 -3.7896 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -3.7896 0.0000 Cl 0 0 0 0 0 0 0 0 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 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 6 23 1 0 0 0 0 2 27 1 0 0 0 0 9 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 31 1 0 0 0 0 14 35 1 0 0 0 0 10 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 18 39 1 0 0 0 0 20 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 47 48 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____699616 > ALDRICH > 699616 > - > - > - > - > 16245169 $$$$ 50 52 0 0 0 0 0 0 0 0 1 V2000 -2.1814 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 -2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3564 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9494 -0.0992 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.1176 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -2.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5324 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9605 1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2866 0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 -2.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -3.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -2.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 1.5394 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 1.5394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 2.8371 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 2.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 2.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 1.5404 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 3.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7661 3.6592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 2.8371 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 3.6592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 2.3635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 1.5414 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 0.7192 0.0000 F 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 6 7 1 0 5 8 1 0 7 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 7 15 1 0 9 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 9 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 15 1 0 14 26 1 0 26 27 1 0 26 28 1 0 12 29 1 0 29 30 1 0 29 31 1 0 10 32 1 0 32 33 1 0 32 34 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 2 0 36 40 1 0 40 41 2 0 40 42 2 0 37 43 1 0 43 44 1 0 43 45 1 0 43 46 1 0 40 47 1 0 47 48 1 0 47 49 1 0 47 50 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 26 27 28 M SBL 1 1 29 M SMT 1 i-Pr M SBV 1 29 0.4152 -0.7096 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 29 30 31 M SBL 2 1 32 M SMT 2 i-Pr M SBV 2 32 -0.8221 -0.0048 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 32 33 34 M SBL 3 1 35 M SMT 3 ^i-Pr M SBV 3 35 0.4069 0.7144 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 43 44 45 46 M SBL 4 1 45 M SMT 4 CF3 M SBV 4 45 0.0010 -0.8221 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 47 48 49 50 M SBL 5 1 49 M SMT 5 CF3 M SBV 5 49 -0.8250 -0.0010 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD10567016 > ALDRICH > 691674 > - > - > - > - > 16245169 $$$$ 77 79 0 0 0 0 0 0 0 0 1 V2000 4.2259 -2.7572 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2259 -2.1531 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -2.7572 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6217 -2.7572 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.8301 -3.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 -3.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 -2.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -2.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -1.1165 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.2259 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7384 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7384 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 -0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 -0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -2.5072 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9533 -1.9031 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 -2.5072 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.5574 -2.5072 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3491 -3.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 -3.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -0.8665 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -1.9533 -0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7658 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 -1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9652 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 -4.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 -5.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 -4.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0008 -4.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 -4.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -3.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4342 -2.7572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4342 -2.1552 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 -2.7572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4342 -3.3593 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0176 -2.7572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0176 -3.3593 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 -2.7572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0176 -2.1552 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 -2.5072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7449 -1.9052 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 -2.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 -3.1093 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1616 -2.5072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1616 -3.1093 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 -2.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1616 -1.9052 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 30 70 1 0 0 0 0 31 74 1 0 0 0 0 4 66 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 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 17 1 0 0 0 0 17 12 2 0 0 0 0 10 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 39 2 0 0 0 0 37 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 37 2 0 0 0 0 38 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 38 1 0 0 0 0 21 22 1 0 0 0 0 22 10 2 0 0 0 0 55 56 2 0 0 0 0 11 23 2 0 0 0 0 56 57 1 0 0 0 0 23 24 1 0 0 0 0 57 58 2 0 0 0 0 24 25 2 0 0 0 0 58 59 1 0 0 0 0 25 26 1 0 0 0 0 59 60 2 0 0 0 0 60 55 1 0 0 0 0 26 27 2 0 0 0 0 60 61 1 0 0 0 0 27 11 1 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 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 2 0 0 0 0 3 8 2 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 69 1 0 0 0 0 3 62 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 2 0 0 0 0 30 35 2 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 74 77 1 0 0 0 0 G 70 30 CF3 G 62 3 CF3 G 66 4 CF3 G 74 31 CF3 M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 4 70 71 72 73 M SBL 1 1 1 M SMT 1 CF3 M SBV 1 1 -0.6000 0.0000 M SAL 2 4 62 63 64 65 M SBL 2 1 66 M SMT 2 CF3 M SBV 2 66 -0.6100 0.0000 M SAL 3 4 66 67 68 69 M SBL 3 1 3 M SMT 3 CF3 M SBV 3 3 0.6100 0.0000 M SAL 4 4 74 75 76 77 M SBL 4 1 2 M SMT 4 CF3 M SBV 4 2 0.6100 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09038445 > ALDRICH > 677922 > - > - > - > - > 16245169 $$$$ 66 70 0 0 0 0 0 0 0 0 1 V2000 5.2211 -3.0333 0.0000 O 0 3 3 0 0 0 0 0 0 0 0 0 4.5525 -3.5271 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 5.9566 -3.4646 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 -2.2833 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.8875 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.8375 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 -5.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8276 -5.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -5.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3529 -4.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 -2.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -3.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -3.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 -3.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 -4.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -4.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 -4.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -0.4583 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.4833 0.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 -1.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -0.4583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -0.4583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -3.8542 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.6917 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 -4.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 -5.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7015 -5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1781 -5.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1763 -4.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7227 -2.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0431 -2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -3.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 -3.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4366 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 -4.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 -4.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 -1.5424 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.2624 -0.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 -0.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2681 0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7431 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1566 -2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7502 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 -1.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 -1.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7593 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3597 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 30 32 2 0 0 0 0 5 6 1 0 0 0 0 32 33 1 0 0 0 0 14 15 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 15 16 1 0 0 0 0 35 36 2 0 0 0 0 36 30 1 0 0 0 0 5 7 1 0 0 0 0 31 37 2 0 0 0 0 16 17 2 0 0 0 0 37 38 1 0 0 0 0 17 7 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 5 18 1 0 0 0 0 40 41 2 0 0 0 0 41 31 1 0 0 0 0 6 8 2 0 0 0 0 29 42 1 0 0 0 0 18 19 2 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 19 20 1 0 0 0 0 44 45 2 0 0 0 0 8 9 1 0 0 0 0 45 46 1 0 0 0 0 20 21 2 0 0 0 0 46 47 2 0 0 0 0 47 42 1 0 0 0 0 1 2 1 0 0 0 0 21 22 1 0 0 0 0 48 49 1 0 0 0 0 9 10 2 0 0 0 0 49 50 2 0 0 0 0 22 23 2 0 0 0 0 50 51 1 0 0 0 0 23 18 1 0 0 0 0 51 52 2 0 0 0 0 1 3 1 0 0 0 0 52 53 1 0 0 0 0 10 11 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 24 25 1 0 0 0 0 48 55 1 0 0 0 0 1 4 1 0 0 0 0 48 56 1 0 0 0 0 24 26 1 0 0 0 0 55 57 2 0 0 0 0 11 12 2 0 0 0 0 57 58 1 0 0 0 0 24 27 1 0 0 0 0 58 59 2 0 0 0 0 12 6 1 0 0 0 0 59 60 1 0 0 0 0 24 28 1 0 0 0 0 60 61 2 0 0 0 0 61 55 1 0 0 0 0 56 62 2 0 0 0 0 7 13 2 0 0 0 0 62 63 1 0 0 0 0 29 30 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 29 31 1 0 0 0 0 65 66 2 0 0 0 0 66 56 1 0 0 0 0 M CHG 2 1 1 24 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06658141 > ALDRICH > 665142 > - > - > - > - > 16245169 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -0.4111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 0.0000 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 5 6 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SMT 1 AuCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058861 > ALDRICH > 404217 > - > - > - > - > 16245169 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 4.2667 -3.9333 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -3.4245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -4.4421 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014172 > ALDRICH > 379948 > - > - > - > - > 16245169 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.2148 -0.8739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2148 0.6260 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 -1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 1.5930 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192090 > ALDRICH > 420727 > - > - > - > - > 16245169 $$$$ 2 0 0 0 0 0 0 0 0 0 1 V2000 -0.1894 0.0194 0.0000 Au 0 3 0 0 0 0 0 0 0 0 0 0 0.8694 0.0194 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00046175 > ALDRICH > 481130 > - > - > - > - > 16245169 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 5.7764 -1.5333 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -1.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -3.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -2.8173 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4176 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9166 -3.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -3.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -2.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013205 > ALDRICH > 288225 > - > - > - > - > 16245169 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 5.7764 -1.5333 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -1.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -3.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -2.8173 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4176 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9154 -3.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5149 -3.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 -2.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5123 -2.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9138 -2.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 -3.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -4.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 -4.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 -3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -2.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1214 -3.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 4 6 1 0 0 0 0 3 12 2 0 0 0 0 12 13 1 0 0 0 0 6 7 2 0 0 0 0 13 14 2 0 0 0 0 1 2 1 0 0 0 0 14 15 1 0 0 0 0 7 8 1 0 0 0 0 15 16 2 0 0 0 0 16 3 1 0 0 0 0 5 17 2 0 0 0 0 8 9 2 0 0 0 0 17 18 1 0 0 0 0 3 4 1 0 0 0 0 18 19 2 0 0 0 0 9 10 1 0 0 0 0 19 20 1 0 0 0 0 4 5 1 0 0 0 0 20 21 2 0 0 0 0 21 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009588 > ALDRICH > 254037 > - > - > - > - > 16245169 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.1104 -0.0553 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 0.7697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -0.4678 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 -0.7697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 0.2455 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011322 > ALDRICH > 254169 > - > - > - > - > 16245169 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 0.0016 -0.2030 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9544 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014171 > ALDRICH > 398470 > - > - > - > - > 16245169 $$$$ 15 10 0 0 0 0 0 0 0 0 1 V2000 4.5431 -2.9854 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 -3.5708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -2.6927 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -2.6927 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -3.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8561 -3.4170 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5289 -3.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0365 -3.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5544 -3.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4736 -4.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 -3.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 -4.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 -2.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6169 -2.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149904 > SIGMA-ALDRICH > G4022 > - > - > - > - > 16245169 $$$$ 36 38 0 0 0 0 0 0 0 0 1 V2000 -1.5973 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 -0.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 -0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 0.7108 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 -1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1164 -0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 2.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 2.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 2.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0097 2.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3496 0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 -2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -2.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 1.9456 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 1.9456 0.0000 Cl 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 6 7 1 0 5 8 1 0 7 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 7 15 1 0 9 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 9 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 15 1 0 12 26 1 0 26 27 1 0 26 28 1 0 14 29 1 0 29 30 1 0 29 31 1 0 10 32 1 0 32 33 1 0 32 34 1 0 35 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 26 27 28 M SBL 1 1 29 M SMT 1 i-Pr M SBV 1 29 -0.8221 -0.0048 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 29 30 31 M SBL 2 1 32 M SMT 2 i-Pr M SBV 2 32 0.4152 -0.7096 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 32 33 34 M SBL 3 1 35 M SMT 3 ^i-Pr M SBV 3 35 0.4069 0.7144 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 35 36 M SMT 4 AuCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09842765 > ALDRICH > 687510 > - > - > - > - > 16245169 $$$$ 8 4 0 0 0 0 0 0 0 0 1 V2000 -1.3955 -0.0859 0.0000 Au 0 5 0 0 0 0 0 0 0 0 0 0 -1.3955 0.7391 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2205 -0.0859 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -0.9109 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5705 -0.0859 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 -0.8938 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.6893 0.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 -0.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149162 > ALDRICH > 298174 > - > - > - > - > 16245169 $$$$ 23 23 0 0 0 0 0 0 0 0 1 V2000 -0.3967 1.5454 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 0.4254 1.5454 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 -0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 0.5915 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 -1.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 -0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 -0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 3 1 0 0 0 8 9 1 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 10 2 0 0 0 9 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 9 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 1 2 M SMT 1 AuCl M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 16 M SMT 2 ^t-Bu M SBV 2 16 -5.8392 4.5048 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 20 21 22 23 M SBL 3 1 20 M SMT 3 t-Bu M SBV 3 20 -4.1892 4.5048 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09265131 > ALDRICH > 679771 > - > - > - > - > 16245169 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 4.2667 -3.9333 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -3.4245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -4.4421 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014172 > ALDRICH > 334049 > - > - > - > - > 16245169 $$$$