@MOLECULE DB01639 30 30 1 SMALL USER_CHARGES @ATOM 1 P1 -2.5245 -2.6864 -0.5477 P 1 noname 0.0155 2 O1 -3.4293 -2.8329 -1.6583 O.2 1 noname -0.1965 3 O2 -1.7339 -1.3735 -0.6994 O.3 1 noname -0.1510 4 O3 -1.5458 -3.8751 -0.5226 O.3 1 noname -0.1644 5 O4 -3.3263 -2.6538 0.7667 O.3 1 noname -0.1644 6 C1 -0.8417 -1.2291 0.3959 C.3 1 noname 0.0937 7 C2 -0.0922 0.0156 0.2521 C.2 1 noname 0.0576 8 C3 1.3409 0.0084 0.1577 C.2 1 noname 0.0273 9 C4 -0.7661 1.2817 0.2010 C.2 1 noname 0.1110 10 C5 2.0988 1.2189 0.0159 C.2 1 noname 0.0921 11 C6 1.9993 -1.1808 0.2040 C.2 1 noname 0.1041 12 N1 -0.0120 2.4373 0.0636 N.2 1 noname -0.0600 13 O5 3.4457 1.1936 -0.0714 O.3 1 noname -0.2606 14 C7 1.3763 2.4548 -0.0297 C.2 1 noname 0.1406 15 O6 3.0581 -1.3152 -0.3869 O.2 1 noname -0.2994 16 C8 -0.6940 3.6705 0.0155 C.3 1 noname 0.1683 17 C9 2.0895 3.7206 -0.1727 C.3 1 noname 0.0835 18 H1 -1.3518 -4.1107 0.3876 H 1 noname 0.2283 19 H2 -3.5029 -3.5519 1.0562 H 1 noname 0.2283 20 H3 -1.4633 -1.1312 1.2859 H 1 noname 0.0631 21 H4 -0.1266 -2.0480 0.3179 H 1 noname 0.0631 22 H5 -1.8509 1.3656 0.2665 H 1 noname 0.1266 23 H6 1.6624 -2.0680 0.7401 H 1 noname 0.1099 24 H7 3.8235 1.1865 0.8111 H 1 noname 0.2184 25 H8 -0.8866 4.0189 1.0302 H 1 noname 0.0878 26 H9 -0.0824 4.4036 -0.5104 H 1 noname 0.0878 27 H10 -1.6400 3.5422 -0.5104 H 1 noname 0.0878 28 H11 2.3164 4.1234 0.8144 H 1 noname 0.0338 29 H12 3.0177 3.5550 -0.7196 H 1 noname 0.0338 30 H13 1.4669 4.4287 -0.7196 H 1 noname 0.0338 @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 2 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 2 12 10 13 1 13 10 14 2 14 11 15 2 15 12 16 1 16 12 14 1 17 14 17 1 18 4 18 1 19 5 19 1 20 6 20 1 21 6 21 1 22 9 22 1 23 11 23 1 24 13 24 1 25 16 25 1 26 16 26 1 27 16 27 1 28 17 28 1 29 17 29 1 30 17 30 1 @SUBSTRUCTURE 1 noname 1