155145 -OEChem-05102418522D 219216 0 1 0 0 0 0 0999 V2000 8.0580 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 19.3969 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 15.3600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 23.4339 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 17.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 13.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 21.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9334 10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0580 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0674 10.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1920 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9334 9.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9240 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2014 10.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9240 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2014 9.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3259 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9334 10.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5305 10.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9334 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2014 10.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 9.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1139 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 8.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 9.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3364 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5305 11.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3364 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 7.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 7.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7258 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7258 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7258 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7286 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4579 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4579 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4579 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3239 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1210 18.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3239 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1210 14.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3239 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1210 22.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 19.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 15.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 23.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8985 18.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 19.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2785 19.9339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8985 14.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 15.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2785 15.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8985 22.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 23.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2785 23.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 27 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 19 3 1 6 0 0 0 3101 1 0 0 0 0 20 4 1 6 0 0 0 4102 1 0 0 0 0 21 5 1 1 0 0 0 5103 1 0 0 0 0 22 6 1 1 0 0 0 6104 1 0 0 0 0 25 7 1 6 0 0 0 7105 1 0 0 0 0 26 8 1 6 0 0 0 8106 1 0 0 0 0 9 27 1 0 0 0 0 9 31 1 0 0 0 0 10 28 1 0 0 0 0 10 32 1 0 0 0 0 11 29 1 0 0 0 0 11107 1 0 0 0 0 12 30 1 0 0 0 0 12108 1 0 0 0 0 13 84 1 0 0 0 0 14 85 1 0 0 0 0 15 86 1 0 0 0 0 16 84 2 0 0 0 0 17 85 2 0 0 0 0 18 86 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 87 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 88 1 0 0 0 0 21 25 1 0 0 0 0 21 89 1 0 0 0 0 22 26 1 0 0 0 0 22 90 1 0 0 0 0 23 29 1 1 0 0 0 23 91 1 0 0 0 0 24 30 1 1 0 0 0 24 92 1 0 0 0 0 25 27 1 0 0 0 0 25 93 1 0 0 0 0 26 28 1 0 0 0 0 26 94 1 0 0 0 0 27 95 1 0 0 0 0 28 96 1 0 0 0 0 29 97 1 0 0 0 0 29 98 1 0 0 0 0 30 99 1 0 0 0 0 30100 1 0 0 0 0 31109 1 0 0 0 0 31110 1 0 0 0 0 31111 1 0 0 0 0 32112 1 0 0 0 0 32113 1 0 0 0 0 32114 1 0 0 0 0 33 36 1 0 0 0 0 33 39 1 0 0 0 0 33115 1 0 0 0 0 33116 1 0 0 0 0 34 37 1 0 0 0 0 34 40 1 0 0 0 0 34117 1 0 0 0 0 34118 1 0 0 0 0 35 38 1 0 0 0 0 35 41 1 0 0 0 0 35119 1 0 0 0 0 35120 1 0 0 0 0 36 42 1 0 0 0 0 36121 1 0 0 0 0 36122 1 0 0 0 0 37 43 1 0 0 0 0 37123 1 0 0 0 0 37124 1 0 0 0 0 38 44 1 0 0 0 0 38125 1 0 0 0 0 38126 1 0 0 0 0 39 45 1 0 0 0 0 39127 1 0 0 0 0 39128 1 0 0 0 0 40 46 1 0 0 0 0 40129 1 0 0 0 0 40130 1 0 0 0 0 41 47 1 0 0 0 0 41131 1 0 0 0 0 41132 1 0 0 0 0 42 48 1 0 0 0 0 42133 1 0 0 0 0 42134 1 0 0 0 0 43 49 1 0 0 0 0 43135 1 0 0 0 0 43136 1 0 0 0 0 44 50 1 0 0 0 0 44137 1 0 0 0 0 44138 1 0 0 0 0 45 51 1 0 0 0 0 45139 1 0 0 0 0 45140 1 0 0 0 0 46 52 1 0 0 0 0 46141 1 0 0 0 0 46142 1 0 0 0 0 47 53 1 0 0 0 0 47143 1 0 0 0 0 47144 1 0 0 0 0 48 54 1 0 0 0 0 48145 1 0 0 0 0 48146 1 0 0 0 0 49 55 1 0 0 0 0 49147 1 0 0 0 0 49148 1 0 0 0 0 50 56 1 0 0 0 0 50149 1 0 0 0 0 50150 1 0 0 0 0 51 57 1 0 0 0 0 51151 1 0 0 0 0 51152 1 0 0 0 0 52 58 1 0 0 0 0 52153 1 0 0 0 0 52154 1 0 0 0 0 53 59 1 0 0 0 0 53155 1 0 0 0 0 53156 1 0 0 0 0 54 60 1 0 0 0 0 54157 1 0 0 0 0 54158 1 0 0 0 0 55 61 1 0 0 0 0 55159 1 0 0 0 0 55160 1 0 0 0 0 56 62 1 0 0 0 0 56161 1 0 0 0 0 56162 1 0 0 0 0 57 63 1 0 0 0 0 57163 1 0 0 0 0 57164 1 0 0 0 0 58 64 1 0 0 0 0 58165 1 0 0 0 0 58166 1 0 0 0 0 59 65 1 0 0 0 0 59167 1 0 0 0 0 59168 1 0 0 0 0 60 66 1 0 0 0 0 60169 1 0 0 0 0 60170 1 0 0 0 0 61 67 1 0 0 0 0 61171 1 0 0 0 0 61172 1 0 0 0 0 62 68 1 0 0 0 0 62173 1 0 0 0 0 62174 1 0 0 0 0 63 69 1 0 0 0 0 63175 1 0 0 0 0 63176 1 0 0 0 0 64 70 1 0 0 0 0 64177 1 0 0 0 0 64178 1 0 0 0 0 65 71 1 0 0 0 0 65179 1 0 0 0 0 65180 1 0 0 0 0 66 72 1 0 0 0 0 66181 1 0 0 0 0 66182 1 0 0 0 0 67 73 1 0 0 0 0 67183 1 0 0 0 0 67184 1 0 0 0 0 68 74 1 0 0 0 0 68185 1 0 0 0 0 68186 1 0 0 0 0 69 75 1 0 0 0 0 69187 1 0 0 0 0 69188 1 0 0 0 0 70 76 1 0 0 0 0 70189 1 0 0 0 0 70190 1 0 0 0 0 71 77 1 0 0 0 0 71191 1 0 0 0 0 71192 1 0 0 0 0 72 78 1 0 0 0 0 72193 1 0 0 0 0 72194 1 0 0 0 0 73 79 1 0 0 0 0 73195 1 0 0 0 0 73196 1 0 0 0 0 74 80 1 0 0 0 0 74197 1 0 0 0 0 74198 1 0 0 0 0 75 81 1 0 0 0 0 75199 1 0 0 0 0 75200 1 0 0 0 0 76 82 1 0 0 0 0 76201 1 0 0 0 0 76202 1 0 0 0 0 77 83 1 0 0 0 0 77203 1 0 0 0 0 77204 1 0 0 0 0 78 84 1 0 0 0 0 78205 1 0 0 0 0 78206 1 0 0 0 0 79 85 1 0 0 0 0 79207 1 0 0 0 0 79208 1 0 0 0 0 80 86 1 0 0 0 0 80209 1 0 0 0 0 80210 1 0 0 0 0 81211 1 0 0 0 0 81212 1 0 0 0 0 81213 1 0 0 0 0 82214 1 0 0 0 0 82215 1 0 0 0 0 82216 1 0 0 0 0 83217 1 0 0 0 0 83218 1 0 0 0 0 83219 1 0 0 0 0 M CHG 3 13 -1 14 -1 15 -1 M END > 155145 > 1 > 359 > 18 > 8 > 49 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAIAACQCAAAAAAAAAAAAAEAAAAREBIAAAAiQAAFAAAHAAHI6KyAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol;octadecanoate > (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;octadecanoate > (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;octadecanoate > (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;octadecanoate > (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol;octadecanoate > (3R,4S,5S,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol;stearate > InChI=1S/3C18H36O2.2C7H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3*2-17H2,1H3,(H,19,20);2*3-11H,2H2,1H3/p-3/t;;;2*3-,4-,5+,6-,7?/m...11/s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