@MOLECULE DB04493 29 28 1 SMALL USER_CHARGES @ATOM 1 P1 3.8191 2.9657 -1.5476 P 1 noname 0.0149 2 O1 5.2189 3.3052 -1.8901 O.2 1 noname -0.1967 3 O2 3.6803 1.3906 -1.3260 O.3 1 noname -0.1525 4 O3 3.4059 3.7404 -0.2089 O.3 1 noname -0.1645 5 O4 2.8556 3.4189 -2.7381 O.3 1 noname -0.1645 6 C1 2.3285 1.0363 -0.9524 C.3 1 noname 0.0911 7 C2 2.3403 -0.4424 -0.5130 C.3 1 noname 0.1073 8 O5 3.4542 -0.6011 0.3388 O.3 1 noname -0.3877 9 C3 1.0093 -0.8990 0.1587 C.3 1 noname 0.1153 10 O6 -0.0358 -0.8242 -0.8228 O.3 1 noname -0.3870 11 C4 1.0375 -2.3594 0.7021 C.3 1 noname 0.1431 12 O7 -0.2981 -2.7595 0.9933 O.3 1 noname -0.3823 13 C5 1.8779 -2.8050 1.8440 C.2 1 noname 0.1735 14 O8 1.9113 -4.0358 2.0594 O.2 1 noname -0.2785 15 C6 2.6583 -1.9948 2.7984 C.3 1 noname 0.1045 16 O9 4.0643 -2.2134 2.6417 O.3 1 noname -0.3884 17 H1 3.1941 3.1032 0.4772 H 1 noname 0.2283 18 H2 2.5010 2.6419 -3.1763 H 1 noname 0.2283 19 H3 2.0842 1.6482 -0.0840 H 1 noname 0.0605 20 H4 1.7322 1.1173 -1.8613 H 1 noname 0.0605 21 H5 2.5180 -1.1123 -1.3543 H 1 noname 0.0653 22 H6 3.1659 -0.5600 1.2535 H 1 noname 0.2106 23 H7 0.7781 -0.2152 0.9755 H 1 noname 0.0660 24 H8 -0.8859 -0.7634 -0.3811 H 1 noname 0.2107 25 H9 1.5124 -2.9172 -0.1050 H 1 noname 0.0712 26 H10 -0.4210 -2.7963 1.9447 H 1 noname 0.2111 27 H11 2.4893 -0.9497 2.5392 H 1 noname 0.0647 28 H12 2.4109 -2.3556 3.7968 H 1 noname 0.0647 29 H13 4.4765 -2.2775 3.5063 H 1 noname 0.2106 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 13 14 2 14 13 15 1 15 15 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 10 24 1 24 11 25 1 25 12 26 1 26 15 27 1 27 15 28 1 28 16 29 1 @SUBSTRUCTURE 1 noname 1