27 29 0 0 1 0 0 0 0 0 1 V2000 -3.6049 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6049 -1.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -1.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9065 -1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 -1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 -0.4884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 0.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 8 10 1 1 0 0 9 11 1 1 0 0 12 11 2 0 0 0 13 12 1 0 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 15 24 1 0 0 0 17 20 1 0 0 0 18 19 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06411333 > ALDRICH > 642959 > - > - > - > - > 16263156 $$$$ 18 18 0 0 1 0 0 0 0 0 1 V2000 -2.1434 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0575 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.4132 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 2 9 1 0 0 0 4 10 1 0 0 0 11 10 2 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 12 15 1 6 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 15 16 17 18 M SBL 1 1 15 M SMT 1 t-Bu M SBV 1 15 -5.5110 3.1117 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09038443 > ALDRICH > 677558 > - > - > - > - > 16263156 $$$$ 24 24 0 0 1 0 0 0 0 0 1 V2000 4.1042 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -5.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8167 -7.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9625 -3.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9625 -4.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8167 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 12 11 1 1 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 14 24 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 10 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 2 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03093880 > ALDRICH > 519332 > - > - > - > - > 16263156 $$$$ 27 29 0 0 1 0 0 0 0 0 1 V2000 -1.2831 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 2.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 2.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 1.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 2.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 0.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 0.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 1.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3987 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 0.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 -1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 2 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 4 6 1 1 0 0 7 2 1 0 0 0 8 3 1 0 0 0 9 7 2 0 0 0 10 9 1 0 0 0 5 3 1 0 0 0 8 10 2 0 0 0 1 11 1 1 0 0 12 11 2 0 0 0 13 12 1 0 0 0 14 13 2 0 0 0 13 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 14 1 0 0 0 14 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 16 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 20 21 22 23 M SBL 1 1 22 M SMT 1 t-Bu M SBV 1 22 -4.7912 4.5316 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 24 25 26 27 M SBL 2 1 26 M SMT 2 t-Bu M SBV 2 26 -5.5031 3.2984 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07369724 > ALDRICH > 644145 > - > - > - > - > 16263156 $$$$