20 22 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.5395 0.0000 C 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 1 5 2 0 0 0 2 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 4 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 4 1 0 0 0 3 16 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 3 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004917 > FLUKA > 93110 > - > - > - > - > 16248911 $$$$ 24 26 0 0 0 0 0 0 0 0 1 V2000 -0.6495 -0.0140 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 -3.0653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -3.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 1.5257 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 -3.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 -0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 3.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 3.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -4.6050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 -0.0140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 4.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 -3.0653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 12 19 1 0 0 0 0 12 20 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000290 > ALDRICH > 287911 > - > - > - > - > 16248911 $$$$ 37 39 0 0 0 0 0 0 0 0 1 V2000 -1.6069 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9654 -0.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 -2.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 -3.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5076 -3.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -2.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 -2.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 -0.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0334 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0256 -2.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 3.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 2.6805 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 2 4 1 0 0 0 4 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 4 2 0 0 0 1 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 1 2 0 0 0 3 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 3 2 0 0 0 10 20 1 0 0 0 20 21 1 0 0 0 17 22 1 0 0 0 22 23 1 0 0 0 15 24 1 0 0 0 24 25 1 0 0 0 12 26 1 0 0 0 26 27 1 0 0 0 19 28 1 0 0 0 28 29 1 0 0 0 14 30 1 0 0 0 30 31 1 0 0 0 9 32 1 0 0 0 32 33 1 0 0 0 5 34 1 0 0 0 34 35 1 0 0 0 7 36 1 0 0 0 36 37 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -6.9718 6.9158 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SBV 2 24 -6.9718 6.0937 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 ^OCH3 M SBV 3 26 -8.0711 5.7022 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 ^OCH3 M SBV 4 28 -8.0397 6.2992 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 28 29 M SBL 5 1 30 M SMT 5 OCH3 M SBV 5 30 -6.9718 6.9158 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 30 31 M SBL 6 1 32 M SMT 6 OCH3 M SBV 6 32 -6.7464 5.9314 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 2 32 33 M SBL 7 1 34 M SMT 7 ^OCH3 M SBV 7 34 -8.0397 6.2992 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 2 34 35 M SBL 8 1 36 M SMT 8 OCH3 M SBV 8 36 -6.9718 6.0937 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 2 36 37 M SBL 9 1 38 M SMT 9 OCH3 M SBV 9 38 -6.9718 6.9158 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00145467 > ALDRICH > 392081 > - > - > - > - > 16248911 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 4 2 0 0 0 1 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 1 2 0 0 0 3 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 3 2 0 0 0 5 20 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008515 > ALDRICH > 287938 > - > - > - > - > 16248911 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -1.1975 -0.9281 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.3094 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -0.9281 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.9281 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 1 8 1 0 0 0 1 9 1 0 0 0 1 10 1 0 0 0 4 11 1 0 0 0 4 12 1 0 0 0 4 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015487 > ALDRICH > 333670 > - > - > - > - > 16248911 $$$$ 30 29 0 0 0 0 0 0 0 0 1 V2000 -1.0438 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 -0.0007 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 2.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3852 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 -1.6493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 -2.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -1.6493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -2.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 -1.6493 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2394 -0.0430 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.3511 -1.6493 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2394 -0.6445 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4640 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 4 2 0 0 0 1 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 1 2 0 0 0 3 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 3 2 0 0 0 17 20 1 0 0 0 20 28 1 0 0 0 20 21 2 0 0 0 20 22 2 0 0 0 12 23 1 0 0 0 23 26 1 0 0 0 23 24 2 0 0 0 23 25 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01321353 > ALDRICH > 479497 > - > - > - > - > 16248911 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 5.2207 -3.8033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7403 -3.5033 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.2599 -3.8033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7403 -2.9033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7011 -3.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -3.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -4.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 -4.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -4.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 -4.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7795 -4.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2992 -4.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2992 -3.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7795 -3.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7403 -1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 3 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003853 > ALDRICH > 261971 > FLUKA > 91487 > - > - > 16248911 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.8779 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 0.9399 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 -1.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00055382 > ALDRICH > 177881 > - > - > - > - > 16248911 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 4 8 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015217 > ALDRICH > 336971 > - > - > - > - > 16248911 $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 -8.0069 2.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4089 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 2.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 2.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 3.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 0.7049 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -3.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 -3.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 -1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5069 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5069 2.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 3.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 2.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03100952 > ALDRICH > 532649 > - > - > - > - > 16248911 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 8 2 0 0 0 14 7 1 0 0 0 15 14 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008611 > ALDRICH > 252972 > - > - > - > - > 16248911 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.7157 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8228 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 3 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 5 6 7 M SBL 1 1 4 M SMT 1 i-Pr M SBV 1 4 -9.0824 6.6272 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 8 9 10 M SBL 2 1 7 M SMT 2 ^i-Pr M SBV 2 7 -10.5113 6.6272 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 11 12 13 M SBL 3 1 10 M SMT 3 i-Pr M SBV 3 10 -9.0824 6.6272 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015049 > ALDRICH > 395110 > FLUKA > 43784 > - > - > 16248911 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 3 6 2 0 3 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013914 > ALDRICH > 562394 > - > - > - > - > 16248911 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2613 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 2 1 1 0 0 0 1 10 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015006 > ALDRICH > 570958 > FLUKA > 89984 > - > - > 16248911 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2613 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 -1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 2 1 1 0 0 0 1 10 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015006 > ALDRICH > 336955 > FLUKA > 89984 > - > - > 16248911 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4104 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 4 8 1 0 0 0 9 10 2 0 0 0 10 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014956 > ALDRICH > 336939 > - > - > - > - > 16248911 $$$$ 15 13 0 0 0 0 0 0 0 0 1 V2000 -1.9335 0.3036 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 -1.9335 1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 -1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 0.2876 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.9306 1.1126 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -0.5374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 0.2876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 0.2876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 11 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 t-Bu M SBV 1 2 -8.7332 3.9192 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 t-Bu M SBV 2 6 -7.9111 4.7413 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03840579 > ALDRICH > 643777 > - > - > - > - > 16248911 $$$$ 94 96 0 0 0 0 0 0 0 0 1 V2000 6.7709 -6.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -6.8587 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.0610 -7.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -7.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 -6.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -7.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6308 -8.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3482 -8.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 -8.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4885 -8.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2001 -8.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9237 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9228 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2067 -6.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -5.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4879 -4.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -4.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0610 -4.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 -5.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2086 -4.3716 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3942 -4.2580 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3206 -3.5691 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2743 -4.4383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0947 -4.3850 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2687 -3.6162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -5.7439 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6198 -5.8450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5368 -6.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7414 -5.5824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5931 -4.7736 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 -5.5290 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8149 -6.8934 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0056 -6.8529 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7012 -7.7077 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8943 -6.9501 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7148 -6.8967 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8409 -6.1296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1478 -7.9886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1533 -8.8107 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3318 -8.0894 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9621 -8.1022 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0790 -7.2641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.7824 -8.1683 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8517 -8.8928 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 -9.3350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9270 -8.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -8.7655 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 -10.0353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8590 -10.4912 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0481 -9.3787 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 -11.1705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9174 -10.7550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 -11.8800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 -11.8352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6991 -11.1027 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 -12.2912 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8105 -12.9213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4288 -12.3976 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3954 -13.4992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -13.6219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3033 -14.0780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -12.9378 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4169 -14.6008 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9119 -15.2573 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1264 -14.1854 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -15.1857 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2371 -14.5911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -15.7366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 -15.7468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6416 -6.8506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8273 -6.7369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 -6.0480 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7073 -6.9173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5277 -6.8640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 -6.0951 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 -8.2229 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0528 -8.3239 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9699 -9.0389 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 -8.0614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0262 -7.2526 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 -8.0080 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2479 -9.3723 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4387 -9.3319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1343 -10.1867 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3273 -9.4291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1478 -9.3757 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2739 -8.6086 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5808 -10.4675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5864 -11.2897 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7648 -10.5684 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3952 -10.5812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5121 -9.7431 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.2154 -10.6473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2847 -11.3718 0.0000 F 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 2 4 1 0 0 0 0 3 5 2 0 0 0 0 5 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 3 9 1 0 0 0 0 4 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 4 14 1 0 0 0 0 1 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 1 19 1 0 0 0 0 8 45 1 0 0 0 0 16 20 1 0 0 0 0 13 70 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 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 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 63 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 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 69 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 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 76 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 79 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 82 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 1 0 0 0 0 85 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 1 0 0 0 0 88 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 1 0 0 0 0 91 94 1 0 0 0 0 G 45 8 (CF2)7CF3 G 20 16 (CF2)7CF3 G 70 13 (CF2)7CF3 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 15 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 M SAL 1 10 60 61 62 63 64 65 66 67 68 69 M SBL 1 1 22 M SMT 1 (CF2)7CF3 M SBV 1 22 0.0000 0.8200 M SAL 2 15 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 M SAL 2 10 35 36 37 38 39 40 41 42 43 44 M SBL 2 1 23 M SMT 2 (CF2)7CF3 M SBV 2 23 -0.7200 -0.4200 M SAL 3 15 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 M SAL 3 10 85 86 87 88 89 90 91 92 93 94 M SBL 3 1 24 M SMT 3 (CF2)7CF3 M SBV 3 24 -0.7100 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD04040048 > FLUKA > 49822 > - > - > - > - > 16248911 $$$$ 25 27 0 0 0 0 0 0 0 0 1 V2000 -30.9841 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.5736 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.3986 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.5736 2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.7825 0.9897 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -31.5973 89.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.0312 88.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.1935 88.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.1634 89.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.2178 -89.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.6189 -89.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.8054 -88.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.5937 -88.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.1927 -88.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.0062 -89.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8738 -61.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4445 -62.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8359 -63.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6523 -63.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0779 -62.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6892 -61.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4711 35.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7488 35.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0772 36.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1935 36.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 1 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 1 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 10 15 1 0 1 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 16 21 1 0 5 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 6 7 8 9 M SBL 1 1 6 M SMT 1 t-Bu M SBV 1 6 1.8148 -88.1489 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 10 11 12 13 14 15 M SBL 2 1 10 M SMT 2 ^Ph M SBV 2 10 0.2337 90.2429 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 16 17 18 19 20 21 M SBL 3 1 17 M SMT 3 Ph M SBV 3 17 -55.8579 62.3199 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 22 23 24 25 M SBL 4 1 24 M SMT 4 t-Bu M SBV 4 24 -61.2537 -34.8016 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09753012 > ALDRICH > 693383 > - > - > - > - > 16248911 $$$$ 50 54 0 0 0 0 0 0 0 0 1 V2000 -0.8595 0.5982 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 3.0370 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 2.8073 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.0859 3.0966 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -2.5023 2.4476 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.1338 2.8484 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.6773 2.4535 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.6046 3.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 2.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 3.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 3.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 3.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 3.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 -2.5208 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.0234 -2.2315 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -0.4398 -2.8805 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.9287 -2.4798 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 0.3852 -2.8746 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 -1.7325 -2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 -1.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -1.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 -2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 -3.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 -3.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -3.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 -3.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -3.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 -2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 -2.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 -2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 -3.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 -3.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3746 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7857 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 -1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6066 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3827 -2.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -1.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 -1.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 6 2 1 0 0 0 2 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 2 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 20 1 0 0 0 16 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 26 1 0 0 0 18 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 27 32 1 0 0 0 20 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 33 38 1 0 0 0 17 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 39 44 1 0 0 0 19 45 1 0 0 0 45 46 2 0 0 0 46 47 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 45 50 1 0 0 0 M RAD 1 3 2 M RAD 1 4 2 M RAD 1 5 2 M RAD 1 6 2 M RAD 1 7 2 M RAD 1 16 2 M RAD 1 17 2 M RAD 1 18 2 M RAD 1 19 2 M RAD 1 20 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 8 9 10 11 M SBL 1 1 7 M SMT 1 t-Bu M SBV 1 7 -5.2353 5.0581 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 12 13 14 15 M SBL 2 1 11 M SMT 2 t-Bu M SBV 2 11 -5.2353 5.0581 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 21 22 23 24 25 26 M SBL 3 1 20 M SMT 3 ^Ph M SBV 3 20 -6.0530 5.1227 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 27 28 29 30 31 32 M SBL 4 1 27 M SMT 4 ^Ph M SBV 4 27 -4.9680 4.7709 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 6 33 34 35 36 37 38 M SBL 5 1 34 M SMT 5 Ph M SBV 5 34 -5.5037 4.7720 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 6 39 40 41 42 43 44 M SBL 6 1 41 M SMT 6 ^Ph M SBV 6 41 -4.8373 5.4661 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 6 45 46 47 48 49 50 M SBL 7 1 48 M SMT 7 Ph M SBV 7 48 -4.4212 5.1316 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03788940 > ALDRICH > 675784 > - > - > - > - > 16248911 $$$$ 10 12 0 0 0 0 0 0 0 0 1 V2000 -0.5433 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 -0.0914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1712 -0.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 -0.0914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1712 1.1461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -0.8453 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 7 9 1 0 0 0 8 9 1 0 0 0 6 10 1 0 0 0 10 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00154905 > ALDRICH > 695467 > - > - > - > - > 16248911 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 -1.6805 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -1.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 -0.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 0.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 0.5572 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 -0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9883 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 0.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 9 11 1 0 0 0 5 12 1 0 0 0 3 13 1 0 0 0 1 14 1 0 0 0 8 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 15 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 15 16 17 18 19 20 M SBL 1 1 17 M SMT 1 Ph M SBV 1 17 -4.1993 4.2073 M END > (C) 2008 SIGMA-ALDRICH CO. > A_____695459 > ALDRICH > 695459 > - > - > - > - > 16248911 $$$$ 30 32 0 0 0 0 0 0 0 0 1 V2000 -0.6459 0.6752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 0.1811 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 0.6752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5998 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2498 0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8373 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -0.6439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 -1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 6 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 6 1 0 0 0 2 18 1 0 0 0 1 6 1 0 0 0 3 7 1 0 0 0 12 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 17 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 13 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 8 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 19 20 21 M SBL 1 1 21 M SMT 1 ^i-Pr M SBV 1 21 -5.9235 4.4749 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 22 23 24 M SBL 2 1 24 M SMT 2 i-Pr M SBV 2 24 -5.5124 3.7629 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 25 26 27 M SBL 3 1 27 M SMT 3 i-Pr M SBV 3 27 -5.9235 4.4749 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 28 29 30 M SBL 4 1 30 M SMT 4 ^i-Pr M SBV 4 30 -6.3345 3.7629 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD10000905 > ALDRICH > 694207 > - > - > - > - > 16248911 $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -0.5530 -0.3281 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 0.2691 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -1.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4429 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 0.3252 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.3751 -0.4998 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 1.1502 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 0.3252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 0.3252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 1 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 4 5 6 7 M SBL 1 1 3 M SMT 1 t-Bu M SBV 1 3 -4.6540 3.3523 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 8 9 10 11 M SBL 2 1 7 M SMT 2 ^t-Bu M SBV 2 7 -5.4762 3.3523 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 12 13 14 15 M SBL 3 1 11 M SMT 3 t-Bu M SBV 3 11 -4.6540 3.3523 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 5 16 17 18 19 20 M SMT 4 BF4- M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08064039 > ALDRICH > 676179 > - > - > - > - > 16248911 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.6887 -0.4401 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 -0.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4031 -0.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 1 9 2 0 0 0 4 10 1 0 0 0 1 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD09836231 > ALDRICH > 686344 > - > - > - > - > 16248911 $$$$ 15 13 0 0 0 0 0 0 0 0 1 V2000 -1.9335 0.3036 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 -1.9335 1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 -1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 0.2876 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.9306 1.1126 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -0.5374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 0.2876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 0.2876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 11 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 t-Bu M SBV 1 2 -8.7332 3.9192 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 t-Bu M SBV 2 6 -7.9111 4.7413 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03840579 > ALDRICH > 653101 > - > - > - > - > 16248911 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -0.3583 -0.4083 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 0.3583 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 14 2 0 0 0 0 18 11 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 7 9 2 0 0 0 0 20 18 2 0 0 0 0 19 15 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00775358 > ALDRICH > 567728 > - > - > - > - > 16248911 $$$$ 19 17 0 0 0 0 0 0 0 0 1 V2000 -1.6771 -0.5990 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 -1.7298 -1.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 -0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -0.4814 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.7447 0.3436 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -0.4814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -1.3064 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 -0.4814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 1 7 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 15 19 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03426990 > ALDRICH > 578940 > - > - > - > - > 16248911 $$$$ 19 17 0 0 0 0 0 0 0 0 1 V2000 1.8998 -3.4018 0.0000 P 0 3 3 0 0 0 0 0 0 0 0 0 1.8998 -4.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8998 -2.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 -3.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 -3.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -2.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -2.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0432 -2.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -4.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -4.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0432 -4.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -3.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6686 -3.4752 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.6477 -2.5232 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 -4.3022 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8436 -3.4752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.4750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 G 15 0 BF4 M CHG 2 1 1 15 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 15 16 17 18 19 M SMT 1 BF4 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD05664257 > ALDRICH > 576492 > - > - > - > - > 16248911 $$$$ 25 26 0 0 0 0 0 0 0 0 1 V2000 5.3195 -4.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -5.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -5.6556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7485 -5.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -4.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -4.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -6.4778 0.0000 P 0 3 3 0 0 0 0 0 0 0 0 0 5.2090 -6.4778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0340 -7.3028 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8590 -6.4778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7965 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 -5.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -6.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 -7.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7965 -7.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -7.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 -8.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -8.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -8.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -7.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7662 -6.4024 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.9375 -6.3958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -6.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -7.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -5.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 9 1 0 0 0 0 21 22 1 0 0 0 0 1 2 1 0 0 0 0 21 23 1 0 0 0 0 2 3 1 0 0 0 0 21 24 1 0 0 0 0 3 4 1 0 0 0 0 21 25 1 0 0 0 0 M CHG 2 7 1 21 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03840580 > ALDRICH > 631493 > - > - > - > - > 16248911 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 2 0 0 0 2 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 4 2 0 0 0 3 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00014301 > ALDRICH > 454397 > - > - > - > - > 16248911 $$$$ 22 24 0 0 0 0 0 0 0 0 1 V2000 -0.8250 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8221 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 0.8221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 1 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 1 1 0 0 0 4 10 2 0 0 0 4 11 1 0 0 0 10 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 11 2 0 0 0 2 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 15 2 0 0 0 7 21 1 0 0 0 18 22 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00239478 > ALDRICH > 454141 > - > - > - > - > 16248911 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -1.7825 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4637 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 12 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00049096 > ALDRICH > 682411 > - > - > - > - > 16248911 $$$$ 43 49 0 0 0 0 0 0 0 0 1 V2000 4.0554 -3.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -4.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -3.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -2.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -3.2656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 -2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 -2.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -2.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -2.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -4.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -4.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -5.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 -4.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 -4.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -4.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4983 -4.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4983 -4.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -5.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -4.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4249 -3.4385 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.4249 -4.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 -3.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9053 -4.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9053 -4.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4249 -5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9445 -4.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9445 -4.3344 0.0000 C 0 0 0 0 0 0 0 0 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 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 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 4 13 1 0 0 0 0 6 14 1 0 0 0 0 13 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 13 1 0 0 0 0 14 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 14 1 0 0 0 0 2 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 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 31 32 1 0 0 0 0 31 33 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 32 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 32 1 0 0 0 0 31 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD10000870 > ALDRICH > 669776 > - > - > - > - > 16248911 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 -0.6445 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 0.0014 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 -1.4695 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 0.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 0.1769 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 0.8889 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -0.5351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5058 0.1769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6837 0.2048 0.0000 F 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 1 1 0 0 0 3 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 3 1 0 0 0 4 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 4 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 18 19 20 21 22 M SMT 1 BF4- M END > (C) 2008 SIGMA-ALDRICH CO. > A_____673951 > ALDRICH > 673951 > - > - > - > - > 16248911 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.5077 0.1512 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9188 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 t-Bu M SBV 1 2 -5.1482 5.9262 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 7 8 9 10 M SBL 2 1 6 M SMT 2 ^t-Bu M SBV 2 6 -5.8627 5.5137 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01634711 > ALDRICH > 642629 > - > - > - > - > 16248911 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -0.0012 0.4111 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 3 1 0 0 0 4 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 4 1 0 0 0 2 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 2 1 0 0 0 9 20 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276773 > ALDRICH > 651885 > - > - > - > - > 16248911 $$$$ 22 24 0 0 0 0 0 0 0 0 1 V2000 -1.7849 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.4118 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 6 10 1 0 0 0 4 11 1 0 0 0 2 12 1 0 0 0 9 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 9 1 0 0 0 8 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08276772 > ALDRICH > 651877 > - > - > - > - > 16248911 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 2.8127 -1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 -1.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 -0.3281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2783 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8304 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6109 0.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 -1.9752 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.3497 -1.9752 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5247 -2.7973 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8102 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 -4.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 -4.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2391 -4.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2391 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -2.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 -2.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9997 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784367 > ALDRICH > 655406 > - > - > - > - > 16248911 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 8 1 0 0 0 7 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 14 15 16 17 M SBL 1 1 15 M SMT 1 t-Bu M SBV 1 15 -6.3979 6.2077 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03426984 > ALDRICH > 651605 > - > - > - > - > 16248911 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.0000 -0.6166 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 1 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 2 3 4 M SBL 1 1 1 M SMT 1 i-Pr M SBV 1 1 -6.2574 4.0412 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 5 6 7 8 M SBL 2 1 4 M SMT 2 t-Bu M SBV 2 4 -6.2574 4.8633 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 9 10 11 M SBL 3 1 8 M SMT 3 ^i-Pr M SBV 3 8 -6.2574 4.0412 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06200720 > ALDRICH > 639346 > - > - > - > - > 16248911 $$$$ 22 24 0 0 0 0 0 0 0 0 1 V2000 -0.0186 -0.3266 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 -0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 -1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 -1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 2 0 2 6 1 0 7 3 2 0 3 8 1 0 9 4 2 0 4 10 1 0 5 11 1 0 6 12 2 0 7 13 1 0 8 14 2 0 9 15 1 0 10 16 2 0 12 17 1 0 14 18 1 0 16 19 1 0 15 19 2 0 13 18 2 0 11 17 2 0 7 20 1 0 9 21 1 0 6 22 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00008514 > ALDRICH > 287822 > FLUKA > 93415 > - > - > 16248911 $$$$ 59 61 0 0 0 0 0 0 0 0 1 V2000 5.7413 -3.1667 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.7413 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 -3.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -3.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 -4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7787 -4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 -4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 -3.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7787 -3.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7413 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -3.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 -3.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 -4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8161 -4.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3357 -4.0646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8554 -4.3646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3750 -4.0646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6646 -4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -4.0656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6254 -4.3656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1058 -4.0656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2011 -4.7899 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7807 -4.9452 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 -3.5478 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -3.5478 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7001 -4.9441 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 -4.7888 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6739 -3.5468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 -3.5468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8928 -4.3646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5938 -4.8824 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -4.0656 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1917 -3.8468 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1670 -5.3396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3628 -5.3396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7649 -5.9375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7649 -5.3396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7378 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9337 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3357 -4.0646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3357 -3.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5880 -4.3656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2890 -3.8478 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 -4.0667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 -4.8834 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -5.1865 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0596 -5.1865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -5.7844 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 -5.1865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -3.4677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7429 -3.4677 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -4.0656 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 -3.4677 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 36 23 1 0 0 0 0 21 43 1 0 0 0 0 21 47 1 0 0 0 0 24 17 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 48 27 1 0 0 0 0 25 52 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 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 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 3 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 40 43 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 8 9 2 0 0 0 0 9 3 1 0 0 0 0 2 10 2 0 0 0 0 10 11 1 0 0 0 0 44 47 1 0 0 0 0 45 47 1 0 0 0 0 46 47 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 2 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 4 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 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 18 19 2 0 0 0 0 19 4 1 0 0 0 0 7 20 1 0 0 0 0 21 20 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 56 59 1 0 0 0 0 G 36 23 CF3 G 48 27 CF3 G 47 21 F3^C G 52 25 CF3 G 43 21 F3^C G 56 25 CF3 M STY 6 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP M SLB 6 1 1 2 2 3 3 4 4 5 5 6 6 M SAL 1 4 36 37 38 39 M SBL 1 1 3 M SMT 1 CF3 M SBV 1 3 -0.5200 0.3000 M SAL 2 4 48 49 50 51 M SBL 2 1 10 M SMT 2 CF3 M SBV 2 10 0.5200 0.3000 M SAL 3 4 44 45 46 47 M SBL 3 1 5 M SMT 3 F3^C M SBV 3 5 0.0000 -0.6000 M SAL 4 4 52 53 54 55 M SBL 4 1 11 M SMT 4 CF3 M SBV 4 11 -0.3100 1.1200 M SAL 5 4 40 41 42 43 M SBL 5 1 4 M SMT 5 F3^C M SBV 5 4 0.5700 1.2700 M SAL 6 4 56 57 58 59 M SBL 6 1 12 M SMT 6 CF3 M SBV 6 12 0.0000 -0.6000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD06412551 > ALDRICH > 50476 > - > - > - > - > 16248911 $$$$ 73 75 0 0 0 0 0 0 0 0 1 V2000 2.8770 -8.4134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1637 -8.0009 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4471 -8.4142 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7346 -8.0017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0221 -8.4142 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6904 -8.0017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8554 -9.1309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 -9.1309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 -7.2892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -7.2892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -9.1309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -9.0017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -8.4142 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4863 -7.4351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 -7.4351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 -7.2892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 -7.4184 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 -9.1309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4596 -9.1309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -7.9351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7154 -7.4226 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -9.2143 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -9.0018 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8696 -7.1393 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 -8.5226 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -8.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4429 -8.4105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1562 -7.9980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8728 -8.4113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5853 -7.9988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2978 -8.4113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0103 -7.9988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4645 -9.1280 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2895 -9.1280 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1770 -7.2863 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -7.2863 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.8895 -9.1280 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.8853 -8.9988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.7270 -8.4113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8062 -7.4322 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4645 -7.4322 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5770 -7.2863 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5770 -7.4155 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 -9.1280 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8603 -9.1280 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.4020 -7.9322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0353 -7.4197 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5187 -9.2114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.3187 -8.9989 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.1895 -7.1364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.9895 -8.5197 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7311 -7.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 -6.7613 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.1585 -5.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4508 -7.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 -7.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7319 -6.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0157 -7.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0184 -8.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7319 -8.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -8.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 -7.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 -8.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2987 -7.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2958 -7.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 -6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8806 -5.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8806 -4.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1585 -4.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4452 -4.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -5.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0176 -8.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 -8.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 25 1 0 0 0 0 1 18 1 0 0 0 0 30 31 1 0 0 0 0 27 45 1 0 0 0 0 30 36 1 0 0 0 0 28 29 1 0 0 0 0 31 37 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 27 28 1 0 0 0 0 32 39 1 0 0 0 0 29 33 1 0 0 0 0 32 40 1 0 0 0 0 29 30 1 0 0 0 0 39 46 1 0 0 0 0 32 41 1 0 0 0 0 46 47 1 0 0 0 0 29 34 1 0 0 0 0 39 48 1 0 0 0 0 28 42 1 0 0 0 0 39 49 1 0 0 0 0 28 43 1 0 0 0 0 46 50 1 0 0 0 0 30 35 1 0 0 0 0 46 51 1 0 0 0 0 27 44 1 0 0 0 0 4 5 1 0 0 0 0 1 19 1 0 0 0 0 4 10 1 0 0 0 0 2 3 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 1 2 1 0 0 0 0 6 13 1 0 0 0 0 3 7 1 0 0 0 0 6 14 1 0 0 0 0 3 4 1 0 0 0 0 13 20 1 0 0 0 0 6 15 1 0 0 0 0 20 21 1 0 0 0 0 3 8 1 0 0 0 0 13 22 1 0 0 0 0 2 16 1 0 0 0 0 13 23 1 0 0 0 0 2 17 1 0 0 0 0 20 24 1 0 0 0 0 4 9 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 55 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 55 61 1 0 0 0 0 56 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 56 66 1 0 0 0 0 54 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 54 71 1 0 0 0 0 64 72 1 0 0 0 0 52 72 1 0 0 0 0 59 73 1 0 0 0 0 73 26 1 0 0 0 0 27 52 1 0 0 0 0 1 26 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03788374 > ALDRICH > 16367 > - > - > - > - > 16248911 $$$$ 61 63 0 0 0 0 0 0 0 0 1 V2000 3.4430 -4.0424 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.5126 -3.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 -4.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 -3.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -4.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -5.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8243 -4.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 -4.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 -5.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8851 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 -4.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -4.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -3.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -2.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 -3.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -1.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 -5.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9157 -5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7596 -1.7751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8317 -2.9685 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -2.1979 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -1.1319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4490 -0.5976 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -0.8330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 -1.4398 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4122 -1.7387 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 -1.9741 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3215 -0.7904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6501 -0.2908 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -0.4618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -1.3161 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7923 -1.8156 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -1.6731 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6265 -0.7144 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0493 -1.1372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -0.2626 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0432 -0.2977 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -5.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8258 -6.0103 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0126 -6.0518 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8241 -4.9443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0924 -4.4100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 -4.6453 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5378 -5.2522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2694 -5.7865 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0373 -5.5807 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 -4.6567 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3660 -4.1572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 -4.2997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8659 -5.1351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3837 -5.4340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 -5.6841 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -4.6494 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8064 -4.2266 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6459 -4.2328 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6810 -5.0398 0.0000 F 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 4 5 2 0 0 0 0 5 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 4 1 0 0 0 0 3 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 3 1 0 0 0 0 2 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 2 1 0 0 0 0 17 20 1 0 0 0 0 12 21 1 0 0 0 0 22 21 1 0 0 0 0 43 22 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 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 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 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 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 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 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03788364 > ALDRICH > 19971 > - > - > - > - > 16248911 $$$$ 46 48 0 0 0 0 0 0 0 0 1 V2000 3.5350 -2.3616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1910 -1.8193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4467 -1.0822 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 -1.1780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9233 -2.2155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4566 -1.7147 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0967 -2.0822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8008 -1.7155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5800 -2.2114 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2092 -1.6489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7300 -2.7239 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5217 -2.8405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 -1.0905 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2383 -1.0572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -3.0280 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0508 -2.9947 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2133 -0.8780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8800 -2.0364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8842 -1.2655 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5633 -2.8530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 -2.8530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6508 -1.0030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 -1.1947 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -3.0860 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -3.0235 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -5.6619 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.1060 -4.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 -6.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -6.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 -5.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -6.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -6.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 -6.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -6.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -6.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -6.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -5.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 -4.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 -3.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -3.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -3.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -4.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -2.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -1.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 8 14 1 0 0 0 0 1 25 1 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 2 4 1 0 0 0 0 9 16 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 6 7 1 0 0 0 0 10 18 1 0 0 0 0 7 11 1 0 0 0 0 10 19 1 0 0 0 0 6 5 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 5 20 1 0 0 0 0 7 12 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 6 22 1 0 0 0 0 8 13 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 30 2 0 0 0 0 30 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 28 34 1 0 0 0 0 29 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 29 39 1 0 0 0 0 27 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 27 44 1 0 0 0 0 6 23 1 0 0 0 0 42 45 1 0 0 0 0 1 2 1 0 0 0 0 45 46 1 0 0 0 0 1 46 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03788352 > ALDRICH > 07026 > - > - > - > - > 16248911 $$$$ 82 84 0 0 0 0 0 0 0 0 1 V2000 7.4183 -3.1657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4243 -3.9359 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7076 -3.5610 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9598 -7.8712 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6640 -7.5046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4432 -8.0004 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 -8.5129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -8.6296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 -6.8796 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1015 -6.8462 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -8.1214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -7.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6902 -6.8712 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 -6.9671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 -8.0046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3198 -7.5038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5735 -8.6421 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -8.6421 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -6.7921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 -6.9837 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1959 -8.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -8.8125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1681 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8819 -7.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -6.4201 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.0311 -5.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -6.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -8.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -7.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4578 -8.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1684 -6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4578 -6.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 -5.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 -4.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -3.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -4.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -5.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -8.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 -7.9922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0083 -7.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2640 -6.7129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 -6.8087 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 -7.8462 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2739 -7.3454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9140 -7.7129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6182 -7.3462 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3973 -7.8420 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5473 -8.3545 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3390 -8.4712 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1515 -6.7212 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0557 -6.6879 0.000