28 29 0 0 1 0 0 0 0 0 1 V2000 -1.4302 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 1.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 0.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 -0.6835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5587 0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9628 -2.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -2.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -2.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 -1.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 -2.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 1.9634 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8467 2.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5587 1.5523 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 1 6 1 1 0 0 5 7 1 0 0 0 7 8 1 0 0 0 5 9 1 6 0 0 4 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 6 24 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 16 21 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 13 26 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 16 17 18 19 20 21 22 23 24 25 M SBL 1 1 16 M SMT 1 Cbz M SBV 1 16 -6.4574 2.8609 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 26 27 28 M SBL 2 1 27 M SMT 2 NO2 M SBV 2 27 -6.4330 3.9499 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00047727 > FLUKA > 96640 > - > - > - > - > 16256057 $$$$ 32 32 0 0 1 0 0 0 0 0 1 V2000 6.8829 -6.0902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5517 -5.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4681 -4.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 -5.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 -6.9082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2998 -7.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 -8.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 -5.5675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4704 -5.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -5.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 -6.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 -5.4124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5134 -4.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 -6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -4.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 -3.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 -4.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -5.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -2.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2673 -4.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 -3.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7191 -7.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 -7.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 -8.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 -8.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 -8.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 -7.2612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4543 -6.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 -6.8501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 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 13 1 0 0 0 0 17 21 1 0 0 0 0 19 23 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 21 22 1 0 0 0 0 6 7 1 0 0 0 0 23 24 1 0 0 0 0 1 8 1 6 0 0 0 5 25 1 1 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 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 31 1 0 0 0 0 31 26 1 0 0 0 0 30 32 1 0 0 0 0 G 21 17 OCH3 G 23 19 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 21 22 M SBL 1 1 10 M SDI 1 4 3.4200 -2.9900 3.0200 -2.9200 M SMT 1 OCH3 M SBV 1 10 -0.1300 -0.7400 M SAL 2 2 23 24 M SBL 2 1 11 M SDI 2 4 1.5100 -4.3700 1.5900 -4.7700 M SMT 2 OCH3 M SBV 2 11 0.8600 0.1800 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00235854 > FLUKA > 92579 > - > - > - > - > 16256057 $$$$ 32 33 0 0 1 0 0 0 0 0 1 V2000 0.0917 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 1.7625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7333 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 3.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4083 2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.6125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0375 1.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 1 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 9 16 1 6 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 15 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 21 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 19 1 0 0 0 0 30 28 1 0 0 0 0 31 24 1 0 0 0 0 32 26 1 0 0 0 0 31 25 2 0 0 0 0 32 27 1 0 0 0 0 30 29 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043243 > FLUKA > 96620 > - > - > - > - > 16256057 $$$$ 37 40 0 0 1 0 0 0 0 0 1 V2000 4.8767 -7.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 -7.1896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8767 -6.4734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 -5.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 -5.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 -5.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 -8.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -6.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -7.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9394 -5.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 -6.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 -6.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5809 -5.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 -5.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3519 -5.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9423 -4.3361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5838 -4.3361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -5.7600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5838 -7.1838 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9394 -7.1867 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -9.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -9.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9281 -8.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -7.9871 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6268 -8.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 -8.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2964 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 -9.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9281 -10.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 -10.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1615 -9.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 -8.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5489 -7.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3309 -6.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 -6.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 -5.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 17 1 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 11 20 1 0 0 0 0 8 36 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 6 0 0 0 2 9 1 1 0 0 0 6 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 15 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 21 22 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 21 25 2 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 21 29 1 0 0 0 0 22 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 23 33 1 0 0 0 0 24 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 G 36 8 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 M SAL 1 2 36 37 M SBL 1 1 5 M SMT 1 Fmoc M SBV 1 5 0.7000 -0.4300 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00077063 > FLUKA > 47466 > - > - > - > - > 16256057 $$$$ 26 28 0 0 1 0 0 0 0 0 1 V2000 8.2587 -6.8794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6712 -6.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2587 -5.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4964 -6.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6712 -7.5927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3951 -6.8408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -7.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1432 -7.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -8.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2587 -8.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6712 -9.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -7.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 -7.0184 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6277 -6.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 -6.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -6.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 -7.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 -6.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 -7.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 -8.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6852 -8.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1779 -5.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 -4.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -4.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5505 -5.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4964 -7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 12 8 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 15 25 1 0 0 0 0 5 26 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00080291 > FLUKA > 16905 > - > - > - > - > 16256057 $$$$ 25 25 0 0 1 0 0 0 0 0 1 V2000 3.2022 -4.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 -3.3081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2022 -2.5919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6147 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 -1.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -1.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 -4.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 -3.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7345 -3.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 -4.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2722 -4.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5834 -3.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 -2.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8863 -4.7340 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5780 -5.6213 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8154 -4.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 -3.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -3.7080 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8809 -4.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 -3.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 -4.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 -3.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 -4.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 12 13 2 0 0 0 0 4 5 2 0 0 0 0 13 14 1 0 0 0 0 4 6 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 1 7 1 0 0 0 0 13 16 1 0 0 0 0 3 8 1 6 0 0 0 2 9 1 1 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 8 24 1 0 0 0 0 6 10 1 0 0 0 0 1 2 1 0 0 0 0 10 11 2 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 24 25 2 0 0 0 0 19 24 1 0 0 0 0 G 24 8 Boc M CHG 2 16 1 17 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 19 20 21 22 23 24 25 M SBL 1 1 14 M SMT 1 Boc M SBV 1 14 0.4400 0.7400 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038322 > FLUKA > 15128 > - > - > - > - > 16256057 $$$$ 9 8 0 0 1 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 4 8 1 1 0 0 3 9 1 6 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00064222 > FLUKA > 58880 > SIGMA > I7403 > - > - > 16256057 $$$$ 19 19 0 0 1 0 0 0 0 0 1 V2000 5.4667 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -6.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -7.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7667 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -5.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -5.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -7.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4792 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -4.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 6 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 11 2 0 0 0 0 16 12 1 0 0 0 0 17 14 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 19 18 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00027064 > ALDRICH > 408530 > FLUKA > 96618 > - > - > 16256057 $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 0.0012 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 2.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -1.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 -2.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 -1.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 1 2 6 2 0 4 7 1 0 4 8 1 6 7 9 1 0 5 15 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 15 16 2 0 10 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 9 M SMT 1 Boc M SBV 1 9 -0.7121 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038324 > ALDRICH > 359653 > FLUKA > 15440 > - > - > 16256057 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 4 8 1 6 0 0 3 9 1 1 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004268 > ALDRICH > 298689 > FLUKA > 58884 > - > - > 16256057 $$$$ 26 27 0 0 1 0 0 0 0 0 1 V2000 -1.1322 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 1.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 1.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 0.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1265 -0.3397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 1.0711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 1.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 -1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 -1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 -1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -1.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 -1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 -1.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 1 6 1 1 0 0 5 7 1 0 0 0 7 8 1 0 0 0 5 9 1 6 0 0 4 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 10 1 0 0 0 14 15 2 0 0 0 11 16 2 0 0 0 6 25 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 17 18 19 20 21 22 23 24 25 26 M SBL 1 1 17 M SMT 1 Cbz M SBV 1 17 -6.1594 3.2047 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00079002 > FLUKA > 96621 > - > - > - > - > 16256057 $$$$ 16 15 0 0 1 0 0 0 0 0 1 V2000 0.3519 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 0.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 -0.7612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0696 0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 1.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3544 -1.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 1 6 1 6 0 0 5 7 1 0 0 0 7 8 1 0 0 0 5 9 1 1 0 0 6 15 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 2 0 0 0 10 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 10 11 12 13 14 15 16 M SBL 1 1 9 M SMT 1 Boc M SBV 1 9 -5.3630 3.4612 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00069989 > FLUKA > 15127 > - > - > - > - > 16256057 $$$$ 11 9 0 0 1 0 0 0 0 0 1 V2000 -0.8012 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9446 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 0.0544 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 3 4 2 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 6 0 0 6 8 1 0 0 0 3 9 1 0 0 0 9 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -4.9425 3.7593 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00038911 > FLUKA > 58920 > SIGMA > I6252 > - > - > 16256057 $$$$ 26 28 0 0 1 0 0 0 0 0 1 V2000 -1.5345 0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 -0.5471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6729 0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 -1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 -0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6016 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -0.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 1 1 0 1 5 1 1 2 6 2 0 4 7 1 0 4 8 1 6 7 9 1 0 5 25 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 10 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 18 1 0 11 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 22 1 0 13 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 M SAL 1 2 25 26 M SBL 1 1 9 M SMT 1 Fmoc M SBV 1 9 -0.7121 0.4111 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00037125 > FLUKA > 47628 > - > - > - > - > 16256057 $$$$ 23 22 0 0 1 0 0 0 0 0 1 V2000 -3.9674 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2533 -0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8293 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 -0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3914 -0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 0.7561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 -1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1037 -0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 -1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 0.4762 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1037 0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 8 9 1 0 0 0 8 1 1 0 0 0 8 11 1 1 0 0 9 12 1 0 0 0 1 10 1 6 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 13 1 0 0 0 14 19 1 0 0 0 17 20 1 0 0 0 20 21 2 0 0 0 20 22 2 0 0 0 20 23 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043317 > FLUKA > 58890 > - > - > - > - > 16256057 $$$$