12 10 0 0 0 0 0 0 0 0 1 V2000 -6.8754 -0.6599 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -6.8754 0.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0954 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 -0.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 -0.7799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 -0.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 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 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03095954 > ALDRICH > 537926 > - > - > - > - > 16247006 $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -4.7769 -1.0149 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 0.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -0.0749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 -0.8249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03095961 > ALDRICH > 537918 > - > - > - > - > 16247006 $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -2.7335 -0.5749 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 0.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 0.0449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03095968 > ALDRICH > 538086 > - > - > - > - > 16247006 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 2.9208 -2.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -1.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -3.7542 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 3 2 0 0 0 0 14 2 1 0 0 0 0 15 13 1 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 14 15 2 0 0 0 0 18 19 2 0 0 0 0 12 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04040706 > ALDRICH > 589993 > - > - > - > - > 16247006 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 8.4500 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -5.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -4.8792 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 1 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 3 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 17 18 2 0 0 0 0 8 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05665178 > ALDRICH > 590037 > - > - > - > - > 16247006 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 2 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01863867 > ALDRICH > 589985 > - > - > - > - > 16247006 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03791340 > ALDRICH > 569879 > - > - > - > - > 16247006 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6173 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07785601 > ALDRICH > 655422 > - > - > - > - > 16247006 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 4.2041 -1.9874 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 5.0291 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -2.5708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1958 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9078 -0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9078 -4.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -4.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07785598 > ALDRICH > 657026 > - > - > - > - > 16247006 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.5354 0.7120 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 -0.1089 0.7120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 -0.7120 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____641022 > ALDRICH > 641022 > - > - > - > - > 16247006 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 2.0286 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2661 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2661 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3258 -0.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5997 -0.0958 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 2 2 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08561133 > ALDRICH > 661163 > - > - > - > - > 16247006 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6173 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 3 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____663360 > ALDRICH > 663360 > - > - > - > - > 16247006 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0729 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 2 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08561140 > ALDRICH > 668591 > - > - > - > - > 16247006 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 2.0506 0.9482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -0.3214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 -0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2091 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 -0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 -0.3214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 -0.9482 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 6 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07785599 > ALDRICH > 657654 > - > - > - > - > 16247006 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.1856 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 0.1982 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 -0.8236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 1 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 1 2 0 0 0 4 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07785600 > ALDRICH > 657662 > - > - > - > - > 16247006 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 6.1863 -3.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6686 -4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6688 -4.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 -4.9363 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____668583 > ALDRICH > 668583 > - > - > - > - > 16247006 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 6.2943 -2.8942 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2946 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 -3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 -4.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 -4.6905 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 6.7801 -2.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5953 -1.9713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 -1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -2.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____668605 > ALDRICH > 668605 > - > - > - > - > 16247006 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 3.2235 -3.1227 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 4.0485 -3.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 -3.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -2.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -2.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5206 -3.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9317 -2.4107 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5817 -2.4107 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1692 -1.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3442 -1.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 -1.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4038 -2.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5817 -3.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 2 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07785472 > ALDRICH > 656836 > - > - > - > - > 16247006 $$$$ 22 21 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2048 0.0000 Pol 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3622 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 2.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -2.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 4 13 2 0 0 0 11 14 2 0 0 0 9 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 6 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07785157 > ALDRICH > 656844 > - > - > - > - > 16247006 $$$$