@MOLECULE (2s)-2-{[(s)-hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 8.0175 1.8923 0.7062 O.2 1 UNL1111 -0.5132 2 C 7.9107 1.1068 -0.1983 C.2 1 UNL1111 0.6451 3 O 8.9766 0.8039 -0.9846 O.3 1 UNL1111 -0.5652 4 C 6.7048 0.3497 -0.6495 C.3 1 UNL1111 -0.3490 5 C 5.5618 0.5518 0.3473 C.3 1 UNL1111 -0.2672 6 C 4.2889 -0.1787 -0.1169 C.3 1 UNL1111 -0.1307 7 C 4.5334 -1.6649 0.0102 C.2 1 UNL1111 0.6442 8 O 4.8783 -2.1896 -1.1945 O.3 1 UNL1111 -0.5653 9 O 4.5065 -2.3494 0.9974 O.2 1 UNL1111 -0.5096 10 C 3.1063 0.2149 0.8062 C.3 1 UNL1111 -0.2294 11 P 1.4316 0.0684 0.0321 P.3 1 UNL1111 0.1631 12 O 1.2324 0.7283 -1.2692 O.2 1 UNL1111 -0.3700 13 O 1.3177 -1.5431 -0.0706 O.3 1 UNL1111 -0.4300 14 C 0.2259 0.5065 1.3836 C.3 1 UNL1111 -0.2574 15 C -1.2116 0.3919 0.9535 C.ar 1 UNL1111 0.0646 16 C -1.9161 -0.7974 1.1702 C.ar 1 UNL1111 -0.1715 17 C -3.2583 -0.8989 0.8120 C.ar 1 UNL1111 -0.1436 18 C -1.8666 1.4828 0.3714 C.ar 1 UNL1111 -0.1562 19 C -3.2084 1.3895 0.0092 C.ar 1 UNL1111 -0.1403 20 C -3.8917 0.1985 0.2366 C.ar 1 UNL1111 -0.0773 21 I -5.9307 0.0541 -0.3020 I 1 UNL1111 -0.0239 22 H 9.8046 1.2836 -0.7363 H 1 UNL1111 0.3576 23 H 6.4119 0.6852 -1.6712 H 1 UNL1111 0.1913 24 H 6.9490 -0.7305 -0.7769 H 1 UNL1111 0.1944 25 H 5.8639 0.2084 1.3590 H 1 UNL1111 0.1651 26 H 5.3554 1.6378 0.4603 H 1 UNL1111 0.1663 27 H 4.1029 0.0818 -1.1988 H 1 UNL1111 0.2005 28 H 5.0055 -3.1692 -1.1806 H 1 UNL1111 0.3548 29 H 3.1483 -0.4120 1.7470 H 1 UNL1111 0.1989 30 H 3.2333 1.2880 1.1352 H 1 UNL1111 0.1854 31 H 0.6770 -1.7788 -0.8276 H 1 UNL1111 0.3353 32 H 0.4175 -0.1592 2.2753 H 1 UNL1111 0.1890 33 H 0.4448 1.5598 1.7260 H 1 UNL1111 0.1851 34 H -1.4169 -1.6575 1.6179 H 1 UNL1111 0.1651 35 H -3.7849 -1.8366 0.9898 H 1 UNL1111 0.1637 36 H -1.3277 2.4122 0.1822 H 1 UNL1111 0.1657 37 H -3.6943 2.2516 -0.4488 H 1 UNL1111 0.1649 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 22 1 5 4 5 1 6 4 23 1 7 4 24 1 8 5 6 1 9 5 25 1 10 5 26 1 11 6 7 1 12 6 10 1 13 6 27 1 14 7 8 1 15 7 9 2 16 8 28 1 17 10 11 1 18 10 29 1 19 10 30 1 20 11 12 2 21 11 13 1 22 11 14 1 23 13 31 1 24 14 15 1 25 14 32 1 26 14 33 1 27 15 16 ar 28 15 18 ar 29 16 17 ar 30 16 34 1 31 17 20 ar 32 17 35 1 33 18 19 ar 34 18 36 1 35 19 20 ar 36 19 37 1 37 20 21 1