@MOLECULE DB03448 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 -0.3951 -2.0080 -3.8764 P 1 noname 0.0158 2 O1 -0.8472 -2.6192 -5.0993 O.2 1 noname -0.1964 3 O2 -0.7921 -2.8952 -2.6818 O.3 1 noname -0.1501 4 O3 1.1367 -1.8545 -3.9150 O.3 1 noname -0.1644 5 O4 -1.0464 -0.6208 -3.7244 O.3 1 noname -0.1644 6 C1 -0.3463 -2.2925 -1.4758 C.3 1 noname 0.1056 7 C2 -0.7435 -3.1799 -0.2809 C.3 1 noname 0.1100 8 C3 -1.1276 -1.0264 -1.2277 C.3 1 noname 0.0180 9 O5 -1.8529 -2.5819 0.3875 O.3 1 noname -0.3537 10 C4 0.4363 -3.2898 0.6871 C.3 1 noname 0.0721 11 C5 -2.3593 -1.6138 -0.5530 C.3 1 noname 0.1251 12 O6 0.0702 -4.1078 1.7886 O.3 1 noname -0.3934 13 N1 -3.2175 -0.5974 -0.0027 N.3 1 noname 0.0349 14 C6 -3.0595 -0.1044 1.2826 C.2 1 noname 0.0293 15 C7 -4.1874 -0.0728 -0.8471 C.2 1 noname -0.0422 16 O7 -2.1947 -0.5769 2.0516 O.2 1 noname -0.2799 17 N2 -3.8780 0.9142 1.6844 N.3 1 noname 0.0787 18 C8 -5.0547 0.9960 -0.4713 C.2 1 noname 0.0381 19 C9 -4.8335 1.4541 0.8646 C.2 1 noname 0.0604 20 O8 -5.5415 2.3863 1.3030 O.2 1 noname -0.2902 21 H1 1.4776 -1.8203 -3.0182 H 1 noname 0.2283 22 H2 -1.1438 -0.4134 -2.7922 H 1 noname 0.2283 23 H3 0.7224 -2.1450 -1.6319 H 1 noname 0.0643 24 H4 -1.0790 -4.1674 -0.5977 H 1 noname 0.0656 25 H5 -0.5850 -0.4172 -0.5048 H 1 noname 0.0335 26 H6 -1.4191 -0.6020 -2.1884 H 1 noname 0.0335 27 H7 1.2394 -3.8257 0.1812 H 1 noname 0.0591 28 H8 0.6211 -2.3013 1.1078 H 1 noname 0.0591 29 H9 -3.0656 -2.1239 -1.2081 H 1 noname 0.0788 30 H10 0.1521 -5.0319 1.5421 H 1 noname 0.2101 31 H11 -4.2709 -0.5154 -1.8397 H 1 noname 0.0759 32 H12 -3.7730 1.2807 2.6197 H 1 noname 0.1417 33 H13 -5.8083 1.4187 -1.1358 H 1 noname 0.0685 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 9 11 1 12 10 12 1 13 11 13 1 14 13 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 2 19 17 19 1 20 18 19 1 21 19 20 2 22 4 21 1 23 5 22 1 24 6 23 1 25 7 24 1 26 8 25 1 27 8 26 1 28 10 27 1 29 10 28 1 30 11 29 1 31 12 30 1 32 15 31 1 33 17 32 1 34 18 33 1 @SUBSTRUCTURE 1 noname 1