47 51 0 0 1 0 0 0 0 0 1 V2000 5.1458 -3.3667 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 6.2365 -3.1538 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.0687 -2.6663 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5883 -2.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 -2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5883 -1.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0687 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 -3.6101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0999 -4.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 -4.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1391 -4.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1391 -3.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 -3.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -2.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 -2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 -2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2257 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 -3.1057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4865 -1.7240 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.9962 -1.5422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2139 -1.2696 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6206 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0233 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 -3.7265 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8665 -4.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 -4.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5496 -4.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9497 -4.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 -2.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 -2.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 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 9 1 0 0 0 0 40 42 1 0 0 0 0 44 45 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 22 17 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 24 1 0 0 0 0 22 36 1 6 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 46 22 1 0 0 0 0 2 47 1 0 0 0 0 44 46 1 0 0 0 0 45 15 1 0 0 0 0 46 47 1 0 0 0 0 15 47 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 M RAD 8 15 2 39 2 40 2 41 2 42 2 43 2 44 2 45 2 M RAD 2 46 2 47 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 1 9 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 1 9 9 M SAL 1 1 41 M SBL 1 2 2 50 M SMT 1 C• M SBV 1 2 0.3600 -0.2900 M SBV 1 50 -0.6000 -0.0100 M SAL 2 1 42 M SBL 2 2 17 51 M SMT 2 C• M SBV 2 17 0.7000 -0.2000 M SBV 2 51 0.3900 0.3100 M SAL 3 1 40 M SBL 3 2 1 17 M SMT 3 C• M SBV 3 1 0.6500 0.2300 M SBV 3 17 -0.7000 0.2000 M SAL 4 1 43 M SBL 4 2 50 51 M SMT 4 C• M SBV 4 50 0.6000 0.0100 M SBV 4 51 -0.3900 -0.3100 M SAL 5 1 39 M SBL 5 2 1 2 M SMT 5 C• M SBV 5 1 -0.6500 -0.2300 M SBV 5 2 -0.3600 0.2900 M SAL 6 1 44 M SBL 6 2 18 46 M SMT 6 C• M SBV 6 18 0.6600 0.2300 M SBV 6 46 0.3500 -0.2900 M SAL 7 1 45 M SBL 7 2 18 47 M SMT 7 C• M SBV 7 18 -0.6600 -0.2300 M SBV 7 47 0.6800 -0.1900 M SAL 8 1 46 M SBL 8 3 46 48 44 M SMT 8 C• M SBV 8 46 -0.3500 0.2900 M SBV 8 48 0.6000 0.0000 M SBV 8 44 -0.8300 -0.3500 M SAL 9 1 47 M SBL 9 3 48 49 45 M SMT 9 C• M SBV 9 48 -0.6000 0.0000 M SBV 9 49 0.3900 0.3300 M SBV 9 45 0.7000 -0.4000 M END > (C) 2009 SIGMA-ALDRICH CO. > A______07541 > ALDRICH > 07541 > - > - > - > - > 19372298 $$$$ 47 51 0 0 1 0 0 0 0 0 1 V2000 5.4500 -4.3542 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 6.5407 -4.1413 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.3729 -3.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8925 -3.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 -3.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 -3.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8925 -2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 -3.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 -4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 -5.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -5.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4433 -5.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4433 -4.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -4.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -3.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0429 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 -3.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 -3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -3.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -3.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5299 -2.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 -4.0932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7907 -2.7115 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.3004 -2.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 -2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 -1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 -1.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 -1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2921 -1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8006 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 -1.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 -4.7140 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1707 -5.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8912 -4.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 -3.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 -3.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 -3.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -5.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 -5.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5586 -5.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 -5.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 -5.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 2 9 1 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 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 9 2 0 0 0 0 39 40 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 22 17 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 23 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 2 0 0 0 0 29 30 1 0 0 0 0 30 25 2 0 0 0 0 24 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 24 2 0 0 0 0 22 36 1 6 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 41 22 1 0 0 0 0 2 42 1 0 0 0 0 39 41 1 0 0 0 0 40 15 1 0 0 0 0 41 42 1 0 0 0 0 15 42 1 0 0 0 0 47 45 1 0 0 0 0 47 43 1 0 0 0 0 45 44 1 0 0 0 0 43 46 1 0 0 0 0 44 46 1 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 7 1 0 0 0 0 M RAD 8 15 2 39 2 40 2 41 2 42 2 43 2 44 2 45 2 M RAD 2 46 2 47 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 1 9 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 1 9 9 M SAL 1 1 41 M SBL 1 3 40 38 36 M SMT 1 C• M SBV 1 40 0.6000 0.0000 M SBV 1 38 -0.3600 0.2900 M SBV 1 36 -0.8400 -0.3500 M SAL 2 1 42 M SBL 2 3 41 40 37 M SMT 2 C• M SBV 2 41 0.3900 0.3300 M SBV 2 40 -0.6000 0.0000 M SBV 2 37 0.6900 -0.3900 M SAL 3 1 43 M SBL 3 2 45 43 M SMT 3 C• M SBV 3 45 -0.6000 0.0000 M SBV 3 43 0.3500 -0.2900 M SAL 4 1 39 M SBL 4 2 38 10 M SMT 4 C• M SBV 4 38 0.3600 -0.2900 M SBV 4 10 0.6600 0.2300 M SAL 5 1 44 M SBL 5 2 46 44 M SMT 5 C• M SBV 5 46 0.4000 0.3200 M SBV 5 44 0.7000 -0.2000 M SAL 6 1 45 M SBL 6 2 44 42 M SMT 6 C• M SBV 6 44 -0.7000 0.2000 M SBV 6 42 0.6500 0.2300 M SAL 7 1 40 M SBL 7 2 39 10 M SMT 7 C• M SBV 7 39 0.6900 -0.1900 M SBV 7 10 -0.6600 -0.2300 M SAL 8 1 46 M SBL 8 2 46 45 M SMT 8 C• M SBV 8 46 -0.4000 -0.3200 M SBV 8 45 0.6000 0.0000 M SAL 9 1 47 M SBL 9 2 43 42 M SMT 9 C• M SBV 9 43 -0.3500 0.2900 M SBV 9 42 -0.6500 -0.2300 M END > (C) 2009 SIGMA-ALDRICH CO. > A______73475 > ALDRICH > 73475 > - > - > - > - > 19372298 $$$$ 47 51 0 0 1 0 0 0 0 0 1 V2000 1.9322 -3.7767 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.1001 -3.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -3.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0608 -3.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0608 -2.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -2.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -2.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0688 -4.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0688 -4.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -4.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -4.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 -2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -3.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 -3.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 -3.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -2.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 -2.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -3.5953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9926 -2.3177 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.4830 -2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2652 -1.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 -1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1508 -1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 -0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 -1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 -1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 -1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 -2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -4.1953 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2376 -4.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5172 -4.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.9625 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.0907 -2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 -2.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 -3.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -2.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -3.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 -4.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -5.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0538 -4.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 -4.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4538 -4.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 1 8 1 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 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 40 1 1 0 0 0 0 14 15 2 0 0 0 0 15 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 14 1 0 0 0 0 20 15 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 22 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 22 1 0 0 0 0 20 34 1 6 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 42 20 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 47 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 M RAD 8 38 2 39 2 40 2 41 2 42 2 43 2 44 2 45 2 M RAD 2 46 2 47 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 2 9 SUP 10 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 2 9 9 10 10 M SAL 1 1 41 M SBL 1 2 44 46 M SMT 1 C• M SBV 1 44 -0.6900 0.1800 M SBV 1 46 -0.3700 -0.3000 M SAL 2 1 42 M SBL 2 3 45 46 38 M SMT 2 C• M SBV 2 45 -0.6200 0.0100 M SBV 2 46 0.3700 0.3000 M SBV 2 38 0.8700 -0.3300 M SAL 3 1 38 M SBL 3 2 47 48 M SMT 3 C• M SBV 3 47 0.6600 0.2100 M SBV 3 48 0.3600 -0.2600 M SAL 4 1 43 M SBL 4 2 39 40 M SMT 4 C• M SBV 4 39 -0.6500 -0.2000 M SBV 4 40 -0.3500 0.2600 M SAL 5 1 44 M SBL 5 2 39 41 M SMT 5 C• M SBV 5 39 0.6500 0.2000 M SBV 5 41 -0.7000 0.1700 M SAL 6 1 39 M SBL 6 2 47 44 M SMT 6 C• M SBV 6 47 -0.6600 -0.2100 M SBV 6 44 0.6900 -0.1800 M SAL 7 1 45 M SBL 7 2 40 42 M SMT 7 C• M SBV 7 40 0.3500 -0.2600 M SBV 7 42 -0.6000 0.0000 M SAL 8 1 46 M SBL 8 2 41 43 M SMT 8 C• M SBV 8 41 0.7000 -0.1700 M SBV 8 43 0.4000 0.2900 M SAL 9 1 40 M SBL 9 3 48 45 12 M SMT 9 C• M SBV 9 48 -0.3600 0.2600 M SBV 9 45 0.6200 -0.0100 M SBV 9 12 -0.5200 -0.5200 M SAL 10 1 47 M SBL 10 2 42 43 M SMT 10 C• M SBV 10 42 0.6000 0.0000 M SBV 10 43 -0.4000 -0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04117709 > ALDRICH > 73476 > - > - > - > - > 19372298 $$$$ 47 51 0 0 1 0 0 0 0 0 1 V2000 6.8458 -3.3667 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 -3.1538 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.9230 -2.6663 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4034 -2.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 -2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4034 -1.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8918 -3.6101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8918 -4.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3721 -4.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -4.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -3.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3721 -3.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0584 -2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2529 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 -2.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7676 -2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 -2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2823 -2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7659 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8835 -3.1057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5051 -1.7240 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.9955 -1.5422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7777 -1.2696 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3710 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6633 -0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3674 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7707 -0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4785 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 -0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 -1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0585 -3.6932 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0460 -4.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7339 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0916 -4.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 -4.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 -4.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 -4.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4051 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7499 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 -2.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 -2.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 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 9 1 0 0 0 0 40 42 1 0 0 0 0 44 45 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 22 17 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 24 1 0 0 0 0 22 36 1 6 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 46 22 1 0 0 0 0 2 47 1 0 0 0 0 44 46 1 0 0 0 0 45 15 1 0 0 0 0 46 47 1 0 0 0 0 15 47 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 M RAD 8 15 2 39 2 40 2 41 2 42 2 43 2 44 2 45 2 M RAD 2 46 2 47 2 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 1 9 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 1 9 9 M SAL 1 1 41 M SBL 1 2 2 50 M SMT 1 C• M SBV 1 2 -0.3600 -0.2900 M SBV 1 50 0.6000 -0.0100 M SAL 2 1 42 M SBL 2 2 17 51 M SMT 2 C• M SBV 2 17 -0.7000 -0.2000 M SBV 2 51 -0.3900 0.3100 M SAL 3 1 40 M SBL 3 2 1 17 M SMT 3 C• M SBV 3 1 -0.6500 0.2300 M SBV 3 17 0.7000 0.2000 M SAL 4 1 43 M SBL 4 2 50 51 M SMT 4 C• M SBV 4 50 -0.6000 0.0100 M SBV 4 51 0.3900 -0.3100 M SAL 5 1 39 M SBL 5 2 1 2 M SMT 5 C• M SBV 5 1 0.6500 -0.2300 M SBV 5 2 0.3600 0.2900 M SAL 6 1 44 M SBL 6 2 18 46 M SMT 6 C• M SBV 6 18 -0.6600 0.2300 M SBV 6 46 -0.3500 -0.2900 M SAL 7 1 45 M SBL 7 2 18 47 M SMT 7 C• M SBV 7 18 0.6600 -0.2300 M SBV 7 47 -0.6900 -0.1900 M SAL 8 1 46 M SBL 8 3 46 48 44 M SMT 8 C• M SBV 8 46 0.3500 0.2900 M SBV 8 48 -0.6000 0.0000 M SBV 8 44 0.8300 -0.3500 M SAL 9 1 47 M SBL 9 3 48 49 45 M SMT 9 C• M SBV 9 48 0.6000 0.0000 M SBV 9 49 -0.4000 0.3300 M SBV 9 45 -0.7000 -0.4000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04117706 > ALDRICH > 07542 > - > - > - > - > 19372298 $$$$