@MOLECULE (1e,3r,4r,6r,7z,9z,11e)-3,6,13-trihydroxy-3-methyl-1-[(2r)-6-oxo-3,6-dihydro-2h-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl dihydrogen phosphate 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 P -2.0151 -2.4809 -0.8965 P.3 1 UNL1111111111 0.3376 2 O -1.3220 -1.0488 -0.6741 O.3 1 UNL1111111111 -0.3980 3 O 1.3046 1.2041 -0.0805 O.3 1 UNL1111111111 -0.5804 4 O 1.5398 -0.9256 3.2119 O.3 1 UNL1111111111 -0.5650 5 O -4.3102 0.7779 0.2451 O.3 1 UNL1111111111 -0.4514 6 O -2.3611 -2.9574 0.5844 O.3 1 UNL1111111111 -0.3548 7 O -3.3542 -1.9361 -1.5588 O.3 1 UNL1111111111 -0.2932 8 O -1.3453 -3.5095 -1.6654 O.2 1 UNL1111111111 -0.1831 9 O -6.2353 -0.1329 0.6616 O.2 1 UNL1111111111 -0.4380 10 O 9.1564 1.4199 -1.8802 O.3 1 UNL1111111111 -0.5406 11 C 0.0159 -0.7850 -0.2396 C.3 1 UNL1111111111 0.1670 12 C 0.0984 0.7405 -0.6551 C.3 1 UNL1111111111 0.2809 13 C 0.1402 -1.0140 1.2715 C.3 1 UNL1111111111 -0.3759 14 C -1.0587 1.4616 -0.0203 C.2 1 UNL1111111111 -0.1611 15 C 0.1755 0.8878 -2.1705 C.3 1 UNL1111111111 -0.5028 16 C 1.5215 -0.6306 1.8233 C.3 1 UNL1111111111 0.1656 17 C -2.2801 1.4510 -0.5570 C.2 1 UNL1111111111 -0.2011 18 C -3.4874 1.9506 0.1704 C.3 1 UNL1111111111 0.1472 19 C 2.6419 -1.3664 1.1458 C.2 1 UNL1111111111 -0.2130 20 C -4.1945 3.0857 -0.5826 C.3 1 UNL1111111111 -0.3661 21 C -5.5583 3.2867 -0.0156 C.2 1 UNL1111111111 -0.0319 22 C 3.8965 -0.9068 1.0620 C.2 1 UNL1111111111 -0.1314 23 C -5.6482 0.9053 0.4996 C.2 1 UNL1111111111 0.6063 24 C -6.2263 2.2561 0.5128 C.2 1 UNL1111111111 -0.3255 25 C 4.3480 0.3734 1.5874 C.2 1 UNL1111111111 -0.1372 26 C 5.5285 0.9426 1.2895 C.2 1 UNL1111111111 -0.1691 27 C 6.5457 0.3383 0.4381 C.2 1 UNL1111111111 -0.1570 28 C 7.2935 1.0539 -0.4093 C.2 1 UNL1111111111 -0.2081 29 C 8.3257 0.4357 -1.2949 C.3 1 UNL1111111111 -0.0082 30 H 0.7872 -1.3545 -0.8053 H 1 UNL1111111111 0.1390 31 H -0.6389 -0.4424 1.8148 H 1 UNL1111111111 0.1641 32 H -0.0647 -2.0797 1.5191 H 1 UNL1111111111 0.1703 33 H -0.8291 1.9162 0.9440 H 1 UNL1111111111 0.1595 34 H -0.6359 0.3377 -2.6700 H 1 UNL1111111111 0.1835 35 H 0.1073 1.9325 -2.4852 H 1 UNL1111111111 0.1441 36 H 1.1176 0.4749 -2.5549 H 1 UNL1111111111 0.1634 37 H 1.6594 0.4793 1.8360 H 1 UNL1111111111 0.1663 38 H -2.4903 1.0026 -1.5301 H 1 UNL1111111111 0.1754 39 H -3.2802 2.2395 1.2274 H 1 UNL1111111111 0.1372 40 H 1.6156 2.0211 -0.5129 H 1 UNL1111111111 0.3238 41 H 2.3702 -2.3297 0.7166 H 1 UNL1111111111 0.1530 42 H -4.2720 2.8460 -1.6682 H 1 UNL1111111111 0.1827 43 H -3.5817 4.0073 -0.5353 H 1 UNL1111111111 0.1688 44 H 1.5496 -1.8858 3.3744 H 1 UNL1111111111 0.3124 45 H -5.9682 4.2947 -0.0655 H 1 UNL1111111111 0.1550 46 H 4.6643 -1.5091 0.5655 H 1 UNL1111111111 0.1458 47 H -7.2220 2.3330 0.9470 H 1 UNL1111111111 0.1890 48 H -2.9409 -2.2581 1.0492 H 1 UNL1111111111 0.3135 49 H -3.7118 -1.1272 -1.0241 H 1 UNL1111111111 0.3226 50 H 3.6492 0.8865 2.2569 H 1 UNL1111111111 0.1617 51 H 5.7831 1.9255 1.6935 H 1 UNL1111111111 0.1517 52 H 6.6674 -0.7429 0.5358 H 1 UNL1111111111 0.1518 53 H 7.1796 2.1301 -0.5299 H 1 UNL1111111111 0.1623 54 H 7.8685 -0.0515 -2.1836 H 1 UNL1111111111 0.1547 55 H 8.9626 -0.3003 -0.7701 H 1 UNL1111111111 0.1256 56 H 9.6182 1.9355 -1.1904 H 1 UNL1111111111 0.3111 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 8 2 5 2 11 1 6 3 12 1 7 3 40 1 8 4 16 1 9 4 44 1 10 5 18 1 11 5 23 1 12 6 48 1 13 7 49 1 14 9 23 2 15 10 29 1 16 10 56 1 17 11 12 1 18 11 13 1 19 11 30 1 20 12 14 1 21 12 15 1 22 13 16 1 23 13 31 1 24 13 32 1 25 14 17 2 26 14 33 1 27 15 34 1 28 15 35 1 29 15 36 1 30 16 19 1 31 16 37 1 32 17 18 1 33 17 38 1 34 18 20 1 35 18 39 1 36 19 22 2 37 19 41 1 38 20 21 1 39 20 42 1 40 20 43 1 41 21 24 2 42 21 45 1 43 22 25 1 44 22 46 1 45 23 24 1 46 24 47 1 47 25 26 2 48 25 50 1 49 26 27 1 50 26 51 1 51 27 28 2 52 27 52 1 53 28 29 1 54 28 53 1 55 29 54 1 56 29 55 1