@MOLECULE DB02867 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -0.8905 -1.5378 -1.4650 P 1 noname 0.0230 2 O1 -2.2929 -1.8405 -1.5884 O.2 1 noname -0.1947 3 O2 -0.7164 -0.0528 -1.0964 O.3 1 noname -0.1311 4 O3 -0.2709 -2.4165 -0.3624 O.3 1 noname -0.1633 5 O4 -0.1845 -1.8207 -2.8040 O.3 1 noname -0.1633 6 C1 0.6701 0.2464 -0.9743 C.3 1 noname 0.2010 7 O5 1.3182 -0.0294 -2.2558 O.3 1 noname -0.3405 8 C2 0.7338 1.7118 -0.4438 C.3 1 noname 0.1342 9 C3 2.4494 0.7957 -2.6635 C.3 1 noname 0.1124 10 O6 1.7980 1.8317 0.4887 O.3 1 noname -0.3849 11 C4 0.9630 2.6942 -1.6172 C.3 1 noname 0.1134 12 C5 2.1468 2.3237 -2.5572 C.3 1 noname 0.1112 13 C6 3.6661 0.4556 -1.8004 C.3 1 noname 0.0722 14 O7 1.1566 4.0049 -1.1063 O.3 1 noname -0.3873 15 O8 1.9040 2.8494 -3.8538 O.3 1 noname -0.3874 16 O9 3.9960 -0.9155 -1.9667 O.3 1 noname -0.3934 17 H1 -0.3951 -3.3424 -0.5834 H 1 noname 0.2283 18 H2 -0.1153 -2.7691 -2.9353 H 1 noname 0.2283 19 H3 1.1887 -0.4382 -0.3032 H 1 noname 0.0960 20 H4 -0.1619 1.9763 0.1183 H 1 noname 0.0683 21 H5 2.6137 0.5212 -3.7055 H 1 noname 0.0657 22 H6 1.4472 1.7922 1.3814 H 1 noname 0.2108 23 H7 0.0488 2.7278 -2.2099 H 1 noname 0.0658 24 H8 3.0411 2.8264 -2.1890 H 1 noname 0.0657 25 H9 4.5208 1.0095 -2.1884 H 1 noname 0.0591 26 H10 3.3780 0.5605 -0.7544 H 1 noname 0.0591 27 H11 1.1526 3.9781 -0.1467 H 1 noname 0.2106 28 H12 1.7877 2.1271 -4.4754 H 1 noname 0.2106 29 H13 4.0952 -1.3276 -1.1054 H 1 noname 0.2101 @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 6 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 11 14 1 14 11 12 1 15 12 15 1 16 13 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1