CL(18:0/18:2(9Z,12Z)/20:1(11Z)/20:1(13Z)) Mrv1652303302023162D 107106 0 0 0 0 999 V2000 30.1121 -9.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5302 -8.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0577 -7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5847 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4759 -6.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3572 -8.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6958 -8.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7917 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8306 -5.7376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8692 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7529 -5.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9080 -5.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0244 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6113 -6.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9792 -5.3323 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 31.1078 -5.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9792 -4.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0729 -9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1117 -10.2901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1504 -9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0340 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1892 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2777 -11.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8646 -11.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2604 -9.8167 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.2604 -8.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8409 -10.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1936 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1936 -4.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4795 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7654 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0512 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3371 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6230 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9087 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1947 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4804 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7664 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0523 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3382 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6240 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9099 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1958 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4817 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7676 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3100 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3100 -7.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5959 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8818 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1677 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4536 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7395 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0254 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3112 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5970 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7721 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0580 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3439 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5188 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8047 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0906 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3764 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6623 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9482 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4748 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4748 -9.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7607 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0465 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3323 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6183 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9042 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4760 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7617 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0476 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3335 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5085 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7944 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3661 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6520 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2238 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5632 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5632 -12.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8491 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1350 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4208 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7067 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9926 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2785 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5643 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8502 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1361 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4220 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7079 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9937 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4546 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7405 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3122 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8839 -11.5467 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 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 2 7 1 6 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 5 1 0 0 0 0 15 11 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 1 0 0 0 25 4 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 21 1 0 0 0 0 12 28 1 0 0 0 0 22 66 1 0 0 0 0 13 47 1 0 0 0 0 23 87 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 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