@MOLECULE 71587959 34 33 1 SMALL USER_CHARGES @ATOM 1 P1 -3.9035 0.6549 0.0522 P 1 noname 0.0292 2 O1 -2.2834 -0.3203 3.6679 O.3 1 noname -0.3727 3 O2 -1.8644 -0.3931 0.5196 O.3 1 noname -0.3763 4 O3 1.5637 0.0547 5.5355 O.3 1 noname -0.3941 5 O4 0.5019 -3.5951 3.4002 O.3 1 noname -0.3941 6 O5 -3.1828 1.1198 -1.2815 O.3 1 noname -0.1878 7 O6 -4.5548 -0.7676 -0.2159 O.3 1 noname -0.1878 8 O7 -4.9491 1.6347 0.3813 O.2 1 noname -0.2218 9 N1 -0.6624 -1.9051 5.5635 N.3 1 noname -0.3194 10 C1 -0.0715 -1.3505 4.3372 C.3 1 noname 0.0860 11 C2 -1.2254 -1.2398 3.3102 C.3 1 noname 0.0697 12 C3 -3.2889 -0.1411 2.6382 C.3 1 noname 0.0942 13 C4 -2.7228 0.4602 1.2831 C.3 1 noname 0.1860 14 C5 1.0112 -2.3051 3.7236 C.3 1 noname 0.0657 15 C6 0.5185 0.0820 4.5732 C.3 1 noname 0.0657 16 C7 -4.3759 0.7492 3.3032 C.3 1 noname -0.0352 17 H1 -1.6442 -2.2197 3.0324 H 1 noname 0.0587 18 H2 -0.6591 -0.8355 2.4790 H 1 noname 0.0587 19 H3 -3.7493 -1.1142 2.4456 H 1 noname 0.0636 20 H4 -2.2015 1.4067 1.4899 H 1 noname 0.0785 21 H5 -0.2429 0.7805 4.9217 H 1 noname 0.0584 22 H6 0.9281 0.4994 3.6477 H 1 noname 0.0584 23 H7 1.8382 -2.4356 4.4174 H 1 noname 0.0584 24 H8 1.4220 -1.8842 2.7998 H 1 noname 0.0584 25 H9 -5.2689 0.8041 2.6842 H 1 noname 0.0258 26 H10 -4.6670 0.3539 4.2801 H 1 noname 0.0258 27 H11 -3.9945 1.7561 3.4413 H 1 noname 0.0258 28 H12 -1.1183 -2.7643 5.2592 H 1 noname 0.1191 29 H13 -1.4259 -1.2683 5.7878 H 1 noname 0.1191 30 H14 -0.9471 -0.1961 0.7781 H 1 noname 0.2117 31 H15 1.2201 -4.1446 3.0226 H 1 noname 0.2101 32 H16 1.9138 0.9610 5.6634 H 1 noname 0.2101 33 H17 -3.8412 1.1790 -2.0051 H 1 noname 0.2260 34 H18 -5.2049 -0.6970 -0.9459 H 1 noname 0.2260 @BOND 1 1 6 1 2 1 7 1 3 1 8 2 4 1 13 1 5 2 11 1 6 2 12 1 7 3 13 1 8 3 30 1 9 4 15 1 10 4 32 1 11 5 14 1 12 5 31 1 13 6 33 1 14 7 34 1 15 9 10 1 16 9 28 1 17 9 29 1 18 10 11 1 19 10 14 1 20 10 15 1 21 11 17 1 22 11 18 1 23 12 13 1 24 12 16 1 25 12 19 1 26 13 20 1 27 14 23 1 28 14 24 1 29 15 21 1 30 15 22 1 31 16 25 1 32 16 26 1 33 16 27 1 @SUBSTRUCTURE 1 noname 1