20 18 0 0 0 0 0 0 0 0 1 V2000 3.4337 1.0238 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 0.4829 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 0.9685 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 1.4265 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 10 1 0 0 0 0 10 9 1 0 0 0 0 8 7 1 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 11 18 1 0 0 0 0 18 17 1 0 0 0 0 16 15 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012414 > ALDRICH > 275131 > - > - > - > - > 16245205 $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 3.4337 1.0238 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 0.4829 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 0.9685 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 1.4265 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 10 1 0 0 0 0 10 9 1 0 0 0 0 8 7 1 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 11 18 1 0 0 0 0 18 17 1 0 0 0 0 16 15 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012414 > ALDRICH > 683094 > - > - > - > - > 16245205 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 5.3313 -3.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -3.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 -3.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2313 -3.0985 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 -4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 -2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -3.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 -3.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 -2.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -3.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -2.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 8 1 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 2 6 1 0 0 0 0 1 7 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 9 16 1 0 0 0 0 16 15 1 0 0 0 0 14 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08273779 > ALDRICH > 683086 > - > - > - > - > 16245205 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 2.3197 0.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 0.0550 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 -0.6594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 -0.6594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 0.6384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 0.6384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150243 > ALDRICH > 516996 > - > - > - > - > 16245205 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 2.3197 0.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 0.0550 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 -0.6594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 -0.6594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 0.6384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 0.6384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00150243 > ALDRICH > 334480 > - > - > - > - > 16245205 $$$$ 44 44 0 0 0 0 0 0 0 0 1 V2000 4.0208 -7.3973 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.1958 -7.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -8.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -9.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -9.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 -8.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 -8.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -6.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -6.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -7.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -8.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -8.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 -8.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5946 -6.3507 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 9.5946 -7.2576 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 -6.9673 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 -6.0008 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5946 -5.4479 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -5.7882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8803 -5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8803 -6.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -6.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 -5.5215 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.3956 -4.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -5.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 -4.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6345 -4.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -3.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 -3.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -4.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 -4.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -5.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -6.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7933 -6.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -4.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -6.3375 0.0000 Ir 0 3 0 0 0 0 0 0 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 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 8 3 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 22 1 0 0 0 0 12 13 2 0 0 0 0 13 2 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 32 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 32 1 0 0 0 0 30 43 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 15 18 1 0 0 0 0 M CHG 2 15 -1 44 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064800 > ALDRICH > 337455 > - > - > - > - > 16245205 $$$$ 5 3 0 0 0 0 0 0 0 0 1 V2000 -1.2804 0.0005 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 0.8654 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 0.0005 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -0.8654 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274625 > ALDRICH > 442119 > - > - > - > - > 16245205 $$$$ 11 4 0 0 0 0 0 0 0 0 1 V2000 1.3231 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 0.0000 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 0.8221 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SMT 1 • 6H2O M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 7 8 9 10 11 M SMT 2 IrCl4 M END > (C) 2008 SIGMA-ALDRICH CO. > F______58210 > FLUKA > 58210 > - > - > - > - > 16245205 $$$$ 42 44 0 0 0 0 0 0 0 0 1 V2000 1.4115 -0.1074 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 -0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 -2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 -2.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8811 -0.1074 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 0.6046 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 0.1074 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 2.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 -1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 -2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -1.7647 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 4.3291 -1.7647 0.0000 O 0 3 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 2 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 2 2 0 0 0 4 10 2 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 4 1 0 0 0 3 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 3 1 0 0 0 20 21 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 23 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 23 2 0 0 0 25 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 25 1 0 0 0 24 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 24 1 0 0 0 41 42 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SMT 1 CO M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009590 > ALDRICH > 203483 > FLUKA > 15252 > - > - > 16245205 $$$$ 41 41 0 0 0 0 0 0 0 0 1 V2000 5.2702 -4.6476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 -4.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -3.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1747 -3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6628 -3.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -4.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 -2.6241 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8568 -2.6217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6568 -2.6264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2545 -2.0241 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3548 -2.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 -2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7589 -3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -3.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7729 -1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7706 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 -1.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1588 -3.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 -3.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0568 -2.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7548 -2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1548 -2.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.5583 0.0000 Ir 0 3 0 0 0 0 0 0 0 0 0 0 7.5142 -4.1396 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 7.5142 -3.5396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -4.7396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 -3.7153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 -3.7153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 -4.5638 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 -4.5638 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -3.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -3.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 -4.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 -4.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1857 -3.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1857 -3.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 -2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 -2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 9 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 10 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 8 1 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 33 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 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 34 1 0 0 0 0 M CHG 2 26 1 27 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075097 > ALDRICH > 337498 > FLUKA > 29590 > - > - > 16245205 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.1458 0.4667 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 1.2292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.0875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > F______58203 > FLUKA > 58203 > - > - > - > - > 16245205 $$$$ 60 63 0 0 0 0 0 0 0 0 1 V2000 7.6622 -3.7334 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6774 -2.7835 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.2325 -2.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2406 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 -1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 -2.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 -2.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2498 -2.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2498 -1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1811 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1811 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1939 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1939 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3252 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3252 -4.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8365 -4.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3436 -4.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3436 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8365 -3.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 -3.7646 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.7976 -2.8148 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.2425 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 -3.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 -2.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 -1.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2811 -4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2811 -4.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -4.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -4.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -4.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -3.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -3.9542 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0 5.7260 -4.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6750 -3.0875 0.0000 Ir 0 3 0 0 0 0 0 0 0 0 0 0 6.3583 -3.2458 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 1 27 1 0 0 0 0 17 1 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 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 2 12 1 0 0 0 0 2 8 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 29 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 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 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 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 30 40 1 0 0 0 0 30 36 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 50 2 0 0 0 0 50 45 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 55 1 0 0 0 0 55 56 2 0 0 0 0 56 51 1 0 0 0 0 29 55 1 0 0 0 0 45 29 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 57 58 3 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 4 57 1 58 -1 59 1 60 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02686877 > ALDRICH > 473480 > - > - > - > - > 16245205 $$$$ 9 1 0 0 0 0 0 0 0 0 1 V2000 -1.9766 1.3320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 -0.0430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -1.6328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 -1.5898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 -1.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 0.1203 0.0000 Ir 0 2 0 0 0 0 0 0 0 0 0 0 -0.2603 0.1203 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 1.8047 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.9883 1.5039 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049715 > ALDRICH > 529281 > - > - > - > - > 16245205 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 -1.9975 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 -1.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 -1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 0.1167 0.0000 Ir 0 5 0 0 0 0 0 0 0 0 0 0 -1.0119 0.0233 0.0000 Ir 0 5 0 0 0 0 0 0 0 0 0 0 -0.0983 0.7968 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0416 -0.7968 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0983 1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 1 8 1 0 0 0 8 7 1 0 0 0 6 5 1 0 0 0 9 10 2 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 9 16 1 0 0 0 16 15 1 0 0 0 14 13 1 0 0 0 18 19 1 0 0 0 17 20 1 0 0 0 19 17 1 0 0 0 20 18 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 18 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08459360 > ALDRICH > 685062 > - > - > - > - > 16245205 $$$$ 74 76 0 0 0 0 0 0 0 0 1 V2000 7.4125 -3.1021 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.5875 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8929 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8929 -4.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -5.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 -4.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 -1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9321 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -1.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8929 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8929 -1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -3.2645 0.0000 Ir 0 3 0 0 0 0 0 0 0 0 0 0 1.1781 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -2.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -3.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 -3.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 -4.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 -2.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -3.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 -3.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 -2.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4477 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -3.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 -2.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 -4.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 -1.0781 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0761 -1.5959 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -0.7792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -0.5603 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 -1.0781 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1510 -0.5603 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9677 -0.7792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7489 -1.5959 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5156 -2.0313 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0334 -2.3303 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -2.5491 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9978 -1.7324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4365 -4.1395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9186 -4.4385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -3.6217 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9543 -3.8406 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 -5.1260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7489 -4.6082 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9677 -5.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1510 -5.6439 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 -5.1260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6740 -5.6439 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -5.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 -4.6082 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 -4.1395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9064 -4.4385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -4.6573 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8707 -3.8406 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 -1.8438 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6582 -2.1428 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8771 -1.3260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6939 -1.5449 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 28 27 1 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 29 1 0 0 0 0 28 34 2 0 0 0 0 30 34 1 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 5 1 0 0 0 0 3 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 36 35 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 37 1 0 0 0 0 36 42 2 0 0 0 0 38 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 3 1 0 0 0 0 4 16 2 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 16 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 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 20 4 1 0 0 0 0 2 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 2 1 0 0 0 0 19 43 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 17 47 1 0 0 0 0 14 51 1 0 0 0 0 12 55 1 0 0 0 0 9 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 7 63 1 0 0 0 0 24 67 1 0 0 0 0 22 71 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 66 1 0 0 0 0 2 1 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 71 74 1 0 0 0 0 G 51 14 CF3 G 47 17 CF3 G 67 24 CF3 G 59 9 CF3 G 55 12 CF3 G 63 7 CF3 G 43 19 CF3 G 71 22 CF3 M CHG 2 1 -1 26 1 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 4 51 52 53 54 M SBL 1 1 54 M SMT 1 CF3 M SBV 1 54 -0.3800 -0.5500 M SAL 2 4 47 48 49 50 M SBL 2 1 53 M SMT 2 CF3 M SBV 2 53 -0.5200 -0.3000 M SAL 3 4 67 68 69 70 M SBL 3 1 61 M SMT 3 CF3 M SBV 3 61 0.3000 0.5100 M SAL 4 4 59 60 61 62 M SBL 4 1 56 M SMT 4 CF3 M SBV 4 56 -0.5200 0.3000 M SAL 5 4 55 56 57 58 M SBL 5 1 55 M SMT 5 CF3 M SBV 5 55 -0.3000 0.5100 M SAL 6 4 63 64 65 66 M SBL 6 1 60 M SMT 6 CF3 M SBV 6 60 0.5200 0.3000 M SAL 7 4 43 44 45 46 M SBL 7 1 49 M SMT 7 CF3 M SBV 7 49 0.5200 -0.3000 M SAL 8 4 71 72 73 74 M SBL 8 1 62 M SMT 8 CF3 M SBV 8 62 0.5100 -0.7300 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD10567389 > ALDRICH > 693774 > - > - > - > - > 16245205 $$$$ 22 23 0 0 0 0 0 0 0 0 1 V2000 -1.9975 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 -1.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 -1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 0.1167 0.0000 Ir 0 5 0 0 0 0 0 0 0 0 0 0 -1.0119 0.0233 0.0000 Ir 0 5 0 0 0 0 0 0 0 0 0 0 -0.0983 0.7968 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0416 -0.7968 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0983 1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -1.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 1 8 1 0 0 0 8 7 1 0 0 0 6 5 1 0 0 0 9 10 2 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 9 16 1 0 0 0 16 15 1 0 0 0 14 13 1 0 0 0 18 19 1 0 0 0 17 20 1 0 0 0 19 17 1 0 0 0 20 18 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 18 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08459360 > ALDRICH > 677930 > - > - > - > - > 16245205 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -1.1172 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 -1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 -0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -0.0000 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -0.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 1.8324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 2.1291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 1.0049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -1.0049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -2.1291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 -1.8324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 2 1 0 0 0 6 5 1 0 0 0 7 8 1 0 0 0 8 1 1 0 0 0 4 3 2 0 0 0 1 2 2 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 15 1 0 0 0 11 19 1 0 0 0 13 14 2 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07782019 > ALDRICH > 685046 > - > - > - > - > 16245205 $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 -2.3168 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 0.2880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 0.9435 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -1.1300 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -1.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6285 2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7969 2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 -1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 -2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7956 -1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 0.1501 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 0.9693 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -0.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -0.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 4 5 1 0 5 6 1 0 1 7 1 0 6 8 1 0 6 9 1 0 7 10 1 0 7 11 1 0 8 12 1 0 8 13 1 0 9 14 1 0 9 15 1 0 10 16 1 0 10 17 1 0 11 18 1 0 11 19 1 0 1 2 1 0 3 2 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08457641 > ALDRICH > 664995 > - > - > - > - > 16245205 $$$$ 52 58 0 0 0 0 0 0 0 0 1 V2000 5.3187 -6.1174 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 -6.6586 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3007 -3.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 -4.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 -4.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -4.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7299 -4.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 -3.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -4.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 -4.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 -5.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2712 -5.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7351 -5.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2337 -5.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 -8.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7535 -8.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 -7.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 -7.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7148 -8.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3007 -7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -7.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3395 -7.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3584 -6.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8485 -6.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3197 -6.7325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -6.1270 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -8.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -8.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 -7.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -7.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 -7.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -8.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 -7.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 -7.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -7.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -6.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 -6.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 -6.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -3.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 -4.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.8518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -4.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 -3.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 -4.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -4.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -5.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 -5.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 -5.5763 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 -3.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 14 1 1 0 0 0 0 18 1 1 0 0 0 0 1 2 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 15 16 2 0 0 0 0 16 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 15 1 0 0 0 0 17 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 41 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 50 2 0 0 0 0 50 45 1 0 0 0 0 50 27 1 0 0 0 0 39 27 1 0 0 0 0 51 27 1 0 0 0 0 40 52 2 0 0 0 0 23 24 2 0 0 0 0 44 52 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784515 > ALDRICH > 658383 > - > - > - > - > 16245205 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 -2.1872 0.0000 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 -0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 -0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 1 2 3 4 5 6 7 M SMT 1 IrCl3 • xH2O M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149749 > ALDRICH > 206245 > - > - > - > - > 16245205 $$$$ 7 5 0 0 0 0 0 0 0 0 1 V2000 -2.1872 0.0000 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 -0.5834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 -0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 1 2 3 4 5 6 7 M SMT 1 IrCl3 • xH2O M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00149749 > ALDRICH > 203491 > - > - > - > - > 16245205 $$$$ 6 3 0 0 0 0 0 0 0 0 1 V2000 1.1888 0.0115 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 1.6011 0.7257 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6011 -0.7027 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3641 0.0115 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6011 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4695 -1.1800 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00167267 > ALDRICH > 595330 > - > - > - > - > 16245205 $$$$ 26 24 0 0 0 0 0 0 0 0 1 V2000 6.4458 -2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6768 -4.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8916 -4.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3169 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 -1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2299 -2.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 -8.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 -8.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -8.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 -7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3818 -7.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 -9.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 -8.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 -8.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 -6.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 -6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -4.6833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.0917 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -4.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -6.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -5.7042 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -6.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 11 1 0 0 0 0 5 6 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 4 7 1 0 0 0 0 11 18 1 0 0 0 0 15 19 1 0 0 0 0 3 8 1 0 0 0 0 14 20 1 0 0 0 0 2 9 1 0 0 0 0 21 22 1 0 0 0 0 5 1 1 0 0 0 0 22 23 1 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 24 25 1 0 0 0 0 2 3 1 0 0 0 0 25 26 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 11 2 12 2 13 2 M RAD 2 14 2 15 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075435 > ALDRICH > 357537 > - > - > - > - > 16245205 $$$$ 28 12 0 0 0 0 0 0 0 0 1 V2000 -2.7985 2.2645 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -2.9704 0.7605 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -2.2829 -0.4426 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -1.9035 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 -3.0723 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.9704 -3.0723 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.7615 2.0840 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.5837 2.0840 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.9764 -0.7520 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.7985 -0.7520 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.1483 -2.2129 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.9704 -2.2129 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5467 3.0723 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.3688 3.0723 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.8045 0.6660 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 2.6266 0.6660 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7271 0.9278 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1.5492 0.9278 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7271 0.1057 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1.5492 0.1057 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.9172 0.5168 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -0.0951 0.5168 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.9172 -0.3054 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -0.0951 -0.3054 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.9172 1.3389 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -0.0951 1.3389 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7271 -0.7164 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1.5492 -0.7164 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5 6 3 0 0 0 7 8 3 0 0 0 9 10 3 0 0 0 11 12 3 0 0 0 13 14 3 0 0 0 15 16 3 0 0 0 17 18 3 0 0 0 19 20 3 0 0 0 21 22 3 0 0 0 23 24 3 0 0 0 25 26 3 0 0 0 27 28 3 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011064 > ALDRICH > 299391 > - > - > - > - > 16245205 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.6495 2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6497 3.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 0.7554 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 1.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 -1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 1.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3672 0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 -1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3895 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 -3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3895 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3672 1.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 3 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049135 > ALDRICH > 429147 > - > - > - > - > 16245205 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -0.8348 -2.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -2.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 -2.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -1.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2136 -0.4471 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 -2.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 -2.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 -1.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 0.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 2.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 2.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 1.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 0.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 2.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 1.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 10 9 2 0 0 0 11 10 1 0 0 0 10 12 1 0 0 0 13 9 1 0 0 0 14 13 1 0 0 0 13 15 2 0 0 0 17 16 2 0 0 0 18 17 1 0 0 0 17 19 1 0 0 0 20 16 1 0 0 0 21 20 1 0 0 0 20 22 2 0 0 0 5 12 1 0 0 0 5 19 1 0 0 0 5 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015353 > ALDRICH > 333352 > - > - > - > - > 16245205 $$$$ 36 34 0 0 0 0 0 0 0 0 1 V2000 5.3792 -6.1042 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -6.1042 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -6.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -5.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 16 1 0 0 0 0 24 15 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 14 1 0 0 0 0 28 13 1 0 0 0 0 29 24 1 0 0 0 0 30 23 1 0 0 0 0 31 21 1 0 0 0 0 32 22 1 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 35 26 1 0 0 0 0 36 25 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 29 30 1 0 0 0 0 35 36 1 0 0 0 0 M RAD 8 29 2 30 2 31 2 32 2 33 2 34 2 35 2 36 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00213465 > ALDRICH > 377155 > - > - > - > - > 16245205 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 5.2344 -2.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0354 -2.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8707 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8617 -3.8719 0.0000 Ir 0 0 0 0 0 0 0 0 0 0 0 0 5.7635 -4.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 -4.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 -5.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8885 -5.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 -5.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 -5.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5865 -3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1865 -3.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 2 3 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 11 10 2 0 0 0 0 8 9 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 M RAD 5 1 2 2 2 16 2 17 2 18 2 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 1 16 M SBL 1 2 3 5 M SMT 1 C• M SBV 1 3 -0.3500 0.2600 M SBV 1 5 0.6000 0.0100 M SAL 2 1 17 M SBL 2 2 4 6 M SMT 2 C• M SBV 2 4 -0.6900 0.1800 M SBV 2 6 -0.3900 -0.2800 M SAL 3 1 18 M SBL 3 2 5 6 M SMT 3 C• M SBV 3 5 -0.6000 -0.0100 M SBV 3 6 0.3900 0.2800 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07782020 > ALDRICH > 685011 > - > - > - > - > 16245205 $$$$