9941686 -OEChem-05102401092D 206207 0 1 0 0 0 0 0999 V2000 23.3181 11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 10.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7464 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 11.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4785 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 14.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 18.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5861 10.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8540 11.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4785 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 14.6675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 6.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 7.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 5.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 6.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 7.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 8.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 7.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 8.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 9.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8540 10.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7201 9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 10.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 10.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 9.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.5861 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4521 9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4521 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3181 10.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4163 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2823 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5503 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1484 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2560 14.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6843 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2560 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 14.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3899 16.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 13.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0144 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8182 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3899 17.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8804 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5239 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9522 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 11.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5239 18.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7464 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0862 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 19.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6125 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6579 20.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3541 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 20.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8540 8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 11.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 21.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6125 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1220 7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8540 7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 22.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 12.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7561 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 23.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 13.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 13.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 14.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 15.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 16.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 16.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 17.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 17.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 17.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 5.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 5.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 4.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 4.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 5.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 5.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 7.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 6.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 7.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 8.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 7.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 8.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 6.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 7.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 7.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 8.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3910 10.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3215 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1186 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 10.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 10.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 9.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 9.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4511 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3740 11.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9755 10.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0536 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8506 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3910 11.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8506 12.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0536 12.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5302 9.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9287 10.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8148 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0178 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8838 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6809 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1518 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9488 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5469 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7498 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6454 14.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0439 13.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0828 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2857 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8665 15.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4680 16.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7326 13.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3340 14.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7793 16.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1779 15.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5114 13.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9099 12.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6159 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4129 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4197 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2168 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5986 12.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2001 13.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0005 16.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6020 17.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2789 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4819 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9133 17.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3118 16.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3507 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5537 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 11.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1345 18.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7360 19.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2834 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6876 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4847 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0473 19.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 18.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8216 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1494 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2685 19.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8699 20.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5850 9.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9556 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7527 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1813 20.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5798 19.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5850 8.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3910 8.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8866 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0896 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 11.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4024 21.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0039 22.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4004 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0019 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5850 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3910 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2235 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2095 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0154 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4785 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3152 22.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7138 21.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9880 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2191 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4461 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5458 23.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 23.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3058 23.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4785 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 13.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 13.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 12.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4871 12.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 14.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2191 15.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4132 15.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2191 17.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4132 17.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 18.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 28 1 0 0 0 0 2166 1 0 0 0 0 54 3 1 1 0 0 0 3184 1 0 0 0 0 4 48 2 0 0 0 0 5 67 1 0 0 0 0 5196 1 0 0 0 0 6 78 2 0 0 0 0 7 84 1 0 0 0 0 7206 1 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 24 1 0 0 0 0 9 48 1 0 0 0 0 9114 1 0 0 0 0 58 10 1 6 0 0 0 10185 1 0 0 0 0 10186 1 0 0 0 0 11 78 1 0 0 0 0 11 79 1 0 0 0 0 11201 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 85 1 0 0 0 0 13 86 1 0 0 0 0 14 16 1 0 0 0 0 14 87 1 0 0 0 0 14 88 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 89 1 0 0 0 0 16 90 1 0 0 0 0 17 21 1 0 0 0 0 18 91 1 0 0 0 0 18 92 1 0 0 0 0 18 93 1 0 0 0 0 19 94 1 0 0 0 0 19 95 1 0 0 0 0 19 96 1 0 0 0 0 20 22 2 0 0 0 0 20 97 1 0 0 0 0 21 98 1 0 0 0 0 21 99 1 0 0 0 0 21100 1 0 0 0 0 22 23 1 0 0 0 0 22101 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24102 1 0 0 0 0 25103 1 0 0 0 0 25104 1 0 0 0 0 26105 1 0 0 0 0 26106 1 0 0 0 0 26107 1 0 0 0 0 27 52 1 0 0 0 0 27108 1 0 0 0 0 28 45 1 0 0 0 0 28109 1 0 0 0 0 29 31 1 0 0 0 0 29110 1 0 0 0 0 29111 1 0 0 0 0 30 32 1 0 0 0 0 30112 1 0 0 0 0 30113 1 0 0 0 0 31115 1 0 0 0 0 31116 1 0 0 0 0 32117 1 0 0 0 0 32118 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33119 1 0 0 0 0 33120 1 0 0 0 0 34 36 1 0 0 0 0 34121 1 0 0 0 0 34122 1 0 0 0 0 35 38 1 0 0 0 0 35123 1 0 0 0 0 35124 1 0 0 0 0 36 43 1 0 0 0 0 36125 1 0 0 0 0 36126 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 37127 1 0 0 0 0 37128 1 0 0 0 0 38 44 1 0 0 0 0 38129 1 0 0 0 0 38130 1 0 0 0 0 39 41 1 0 0 0 0 39131 1 0 0 0 0 39132 1 0 0 0 0 40 42 1 0 0 0 0 40133 1 0 0 0 0 40134 1 0 0 0 0 41 47 1 0 0 0 0 41135 1 0 0 0 0 41136 1 0 0 0 0 42 46 1 0 0 0 0 42137 1 0 0 0 0 42138 1 0 0 0 0 43 49 1 0 0 0 0 43139 1 0 0 0 0 43140 1 0 0 0 0 44 51 1 0 0 0 0 44141 1 0 0 0 0 44142 1 0 0 0 0 45 62 2 0 0 0 0 45 63 1 0 0 0 0 46 48 1 0 0 0 0 46143 1 0 0 0 0 46144 1 0 0 0 0 47 50 1 0 0 0 0 47145 1 0 0 0 0 47146 1 0 0 0 0 49 54 1 0 0 0 0 49147 1 0 0 0 0 49148 1 0 0 0 0 50 53 1 0 0 0 0 50149 1 0 0 0 0 50150 1 0 0 0 0 51 55 1 0 0 0 0 51151 1 0 0 0 0 51152 1 0 0 0 0 52 65 2 0 0 0 0 52153 1 0 0 0 0 53 56 1 0 0 0 0 53154 1 0 0 0 0 53155 1 0 0 0 0 54 58 1 0 0 0 0 54156 1 0 0 0 0 55 57 1 0 0 0 0 55157 1 0 0 0 0 55158 1 0 0 0 0 56 59 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57 60 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 58 67 1 0 0 0 0 58163 1 0 0 0 0 59 61 1 0 0 0 0 59164 1 0 0 0 0 59165 1 0 0 0 0 60 64 1 0 0 0 0 60167 1 0 0 0 0 60168 1 0 0 0 0 61 66 1 0 0 0 0 61169 1 0 0 0 0 61170 1 0 0 0 0 62 68 1 0 0 0 0 62171 1 0 0 0 0 63 69 2 0 0 0 0 63172 1 0 0 0 0 64 70 1 0 0 0 0 64173 1 0 0 0 0 64174 1 0 0 0 0 65 73 1 0 0 0 0 65175 1 0 0 0 0 66 71 1 0 0 0 0 66176 1 0 0 0 0 66177 1 0 0 0 0 67178 1 0 0 0 0 67179 1 0 0 0 0 68 72 2 0 0 0 0 68180 1 0 0 0 0 69 72 1 0 0 0 0 69181 1 0 0 0 0 70 74 1 0 0 0 0 70182 1 0 0 0 0 70183 1 0 0 0 0 71 75 1 0 0 0 0 71187 1 0 0 0 0 71188 1 0 0 0 0 72189 1 0 0 0 0 73 76 1 0 0 0 0 73 77 2 0 0 0 0 74190 1 0 0 0 0 74191 1 0 0 0 0 74192 1 0 0 0 0 75193 1 0 0 0 0 75194 1 0 0 0 0 75195 1 0 0 0 0 76197 1 0 0 0 0 76198 1 0 0 0 0 76199 1 0 0 0 0 77 78 1 0 0 0 0 77200 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 80 82 1 0 0 0 0 80202 1 0 0 0 0 81 83 2 0 0 0 0 81203 1 0 0 0 0 82 84 2 0 0 0 0 82204 1 0 0 0 0 83 84 1 0 0 0 0 83205 1 0 0 0 0 M END > 9941686 > 1 > 1420 > 9 > 7 > 41 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAAABQAAAHgAQCAAADjzhmAYyxoPABgCIAiVSUACCAAAhIgAIiIEObMgKdjLCkZOXcAhn1hHY2Qe4yOCPAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA== > (2S,3S)-2-aminooctadecane-1,3-diol;N-[2-hydroxy-1-(morpholinomethyl)-2-phenyl-ethyl]hexadecanamide;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;N-[1-hydroxy-3-(4-morpholinyl)-1-phenylpropan-2-yl]hexadecanamide;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;N-(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl)hexadecanamide;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-aminooctadecane-1,3-diol;N-(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl)hexadecanamide;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > (2S,3S)-2-azanyloctadecane-1,3-diol;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;N-(3-morpholin-4-yl-1-oxidanyl-1-phenyl-propan-2-yl)hexadecanamide > (2S,3S)-2-aminooctadecane-1,3-diol;N-[2-hydroxy-1-(morpholinomethyl)-2-phenyl-ethyl]palmitamide;(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide > InChI=1S/C29H50N2O3.C26H33NO2.C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(32)30-27(25-31-21-23-34-24-22-31)29(33)26-18-15-14-16-19-26;1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-16,18-19,27,29,33H,2-13,17,20-25H2,1H3,(H,30,32);6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29);17-18,20-21H,2-16,19H2,1H3/b;9-6+,16-11+,19-8+,20-18+;/t;;17-,18-/m..0/s1 > ABEUHPIROQYCHR-IMCKXCSESA-N > 1166.93135224 > C73H122N4O7 > 1167.8 > CCCCCCCCCCCCCCCC(C(CO)N)O.CCCCCCCCCCCCCCCC(=O)NC(CN1CCOCC1)C(C2=CC=CC=C2)O.CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C > CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)O.CCCCCCCCCCCCCCCC(=O)NC(CN1CCOCC1)C(C2=CC=CC=C2)O.CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C > 178 > 1166.93135224 > 0 > 84 > 2 > 2 > 4 > 0 > 0 > 3 > -1 > 1 5 255 > 58 10 6 28 2 3 24 25 3 54 3 5 45 62 8 45 63 8 62 68 8 63 69 8 68 72 8 69 72 8 79 80 8 79 81 8 80 82 8 81 83 8 82 84 8 83 84 8 $$$$