6433515 -OEChem-04252407062D 214209 0 1 0 0 0 0 0999 V2000 22.2304 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 5.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 7.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 7.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 5.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8284 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 6.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8284 6.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 11.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 21.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 10.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 20.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 14.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 14.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 24.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 14.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 14.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 24.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 15.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 15.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 25.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 13.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 23.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 16.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 26.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 12.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 22.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 17.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 17.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 27.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3643 6.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3643 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2304 6.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4983 6.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4983 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0964 6.4300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 17.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8595 17.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8595 27.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 6.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 14.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 14.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3395 14.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7380 14.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3395 24.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7380 24.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 14.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 14.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0494 14.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6509 14.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0494 24.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6509 24.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 16.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 15.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9154 16.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5169 15.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9154 26.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5169 25.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 12.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 13.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4735 12.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 13.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4735 22.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 23.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3298 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5328 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3298 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5328 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6668 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4638 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6668 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4638 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0073 15.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4058 16.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2055 15.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6041 16.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2055 25.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6041 26.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3988 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1959 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3988 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1959 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 13.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 12.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1834 13.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7848 12.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1834 23.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7848 22.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5978 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5978 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2648 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2648 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 17.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 17.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7814 17.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3829 17.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7814 27.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3829 27.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9323 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9324 21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9013 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 20.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5594 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0352 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0352 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 17.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 17.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 18.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1695 17.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3965 18.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5495 18.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1695 27.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3965 28.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5495 28.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3609 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5639 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3609 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5639 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9614 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9614 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61 1 1 6 0 0 0 1200 1 0 0 0 0 62 2 1 6 0 0 0 2201 1 0 0 0 0 63 3 1 6 0 0 0 3202 1 0 0 0 0 64 4 1 6 0 0 0 4203 1 0 0 0 0 68 5 1 1 0 0 0 5204 1 0 0 0 0 69 6 1 1 0 0 0 6205 1 0 0 0 0 70 7 1 6 0 0 0 7206 1 0 0 0 0 71 8 1 6 0 0 0 8207 1 0 0 0 0 9 78 1 0 0 0 0 9208 1 0 0 0 0 10 79 1 0 0 0 0 10209 1 0 0 0 0 11 80 1 0 0 0 0 11210 1 0 0 0 0 12 81 1 0 0 0 0 12211 1 0 0 0 0 13 82 1 0 0 0 0 13212 1 0 0 0 0 14 83 1 0 0 0 0 14213 1 0 0 0 0 15 84 1 0 0 0 0 15214 1 0 0 0 0 16 82 2 0 0 0 0 17 83 2 0 0 0 0 18 84 2 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 85 1 0 0 0 0 19 86 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 20 87 1 0 0 0 0 20 88 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 21 89 1 0 0 0 0 21 90 1 0 0 0 0 22 28 1 0 0 0 0 22 91 1 0 0 0 0 22 92 1 0 0 0 0 23 29 1 0 0 0 0 23 93 1 0 0 0 0 23 94 1 0 0 0 0 24 30 1 0 0 0 0 24 95 1 0 0 0 0 24 96 1 0 0 0 0 25 37 1 0 0 0 0 25 97 1 0 0 0 0 25 98 1 0 0 0 0 26 38 1 0 0 0 0 26 99 1 0 0 0 0 26100 1 0 0 0 0 27 39 1 0 0 0 0 27101 1 0 0 0 0 27102 1 0 0 0 0 28 43 1 0 0 0 0 28103 1 0 0 0 0 28104 1 0 0 0 0 29 44 1 0 0 0 0 29105 1 0 0 0 0 29106 1 0 0 0 0 30 45 1 0 0 0 0 30107 1 0 0 0 0 30108 1 0 0 0 0 31 34 1 0 0 0 0 31 40 1 0 0 0 0 31109 1 0 0 0 0 31110 1 0 0 0 0 32 35 1 0 0 0 0 32 41 1 0 0 0 0 32111 1 0 0 0 0 32112 1 0 0 0 0 33 36 1 0 0 0 0 33 42 1 0 0 0 0 33113 1 0 0 0 0 33114 1 0 0 0 0 34 46 1 0 0 0 0 34115 1 0 0 0 0 34116 1 0 0 0 0 35 47 1 0 0 0 0 35117 1 0 0 0 0 35118 1 0 0 0 0 36 48 1 0 0 0 0 36119 1 0 0 0 0 36120 1 0 0 0 0 37 52 1 0 0 0 0 37121 1 0 0 0 0 37122 1 0 0 0 0 38 53 1 0 0 0 0 38123 1 0 0 0 0 38124 1 0 0 0 0 39 54 1 0 0 0 0 39125 1 0 0 0 0 39126 1 0 0 0 0 40 49 1 0 0 0 0 40127 1 0 0 0 0 40128 1 0 0 0 0 41 50 1 0 0 0 0 41129 1 0 0 0 0 41130 1 0 0 0 0 42 51 1 0 0 0 0 42131 1 0 0 0 0 42132 1 0 0 0 0 43 58 1 0 0 0 0 43133 1 0 0 0 0 43134 1 0 0 0 0 44 59 1 0 0 0 0 44135 1 0 0 0 0 44136 1 0 0 0 0 45 60 1 0 0 0 0 45137 1 0 0 0 0 45138 1 0 0 0 0 46 55 1 0 0 0 0 46139 1 0 0 0 0 46140 1 0 0 0 0 47 56 1 0 0 0 0 47141 1 0 0 0 0 47142 1 0 0 0 0 48 57 1 0 0 0 0 48143 1 0 0 0 0 48144 1 0 0 0 0 49 65 1 0 0 0 0 49145 1 0 0 0 0 49146 1 0 0 0 0 50 66 1 0 0 0 0 50147 1 0 0 0 0 50148 1 0 0 0 0 51 67 1 0 0 0 0 51149 1 0 0 0 0 51150 1 0 0 0 0 52 75 1 0 0 0 0 52151 1 0 0 0 0 52152 1 0 0 0 0 53 76 1 0 0 0 0 53153 1 0 0 0 0 53154 1 0 0 0 0 54 77 1 0 0 0 0 54155 1 0 0 0 0 54156 1 0 0 0 0 55 72 1 0 0 0 0 55157 1 0 0 0 0 55158 1 0 0 0 0 56 73 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57 74 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 58 65 2 0 0 0 0 58163 1 0 0 0 0 59 66 2 0 0 0 0 59164 1 0 0 0 0 60 67 2 0 0 0 0 60165 1 0 0 0 0 61 63 1 0 0 0 0 61 68 1 0 0 0 0 61166 1 0 0 0 0 62 64 1 0 0 0 0 62 69 1 0 0 0 0 62167 1 0 0 0 0 63 70 1 0 0 0 0 63168 1 0 0 0 0 64 71 1 0 0 0 0 64169 1 0 0 0 0 65170 1 0 0 0 0 66171 1 0 0 0 0 67172 1 0 0 0 0 68 78 1 0 0 0 0 68173 1 0 0 0 0 69 79 1 0 0 0 0 69174 1 0 0 0 0 70 80 1 0 0 0 0 70175 1 0 0 0 0 71 81 1 0 0 0 0 71176 1 0 0 0 0 72 82 1 0 0 0 0 72177 1 0 0 0 0 72178 1 0 0 0 0 73 83 1 0 0 0 0 73179 1 0 0 0 0 73180 1 0 0 0 0 74 84 1 0 0 0 0 74181 1 0 0 0 0 74182 1 0 0 0 0 75183 1 0 0 0 0 75184 1 0 0 0 0 75185 1 0 0 0 0 76186 1 0 0 0 0 76187 1 0 0 0 0 76188 1 0 0 0 0 77189 1 0 0 0 0 77190 1 0 0 0 0 77191 1 0 0 0 0 78192 1 0 0 0 0 78193 1 0 0 0 0 79194 1 0 0 0 0 79195 1 0 0 0 0 80196 1 0 0 0 0 80197 1 0 0 0 0 81198 1 0 0 0 0 81199 1 0 0 0 0 M END > 6433515 > 1 > 338 > 18 > 15 > 55 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgBEBIAAQAAQAAFgAAJAAPI6KSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(Z)-octadec-9-enoic acid > (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(Z)-9-octadecenoic acid > (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(Z)-octadec-9-enoic acid > (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(Z)-octadec-9-enoic acid > (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(Z)-octadec-9-enoic acid > (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;oleic acid > InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1 > CUNWUEBNSZSNRX-RKGWDQTMSA-N > 1210.92571729 > C66H130O18 > 1211.7 > CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(CO)O)O)O)O)O > CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO > 355 > 1210.92571729 > 0 > 84 > 8 > 0 > 3 > 0 > 0 > 5 > -1 > 1 5 255 > 61 1 6 62 2 6 63 3 6 64 4 6 68 5 5 69 6 5 70 7 6 71 8 6 $$$$