@MOLECULE DB02364 31 30 1 SMALL USER_CHARGES @ATOM 1 P1 1.1984 0.0788 0.1053 P 1 noname 0.0236 2 O1 1.9637 -1.0777 0.4929 O.2 1 noname -0.1941 3 O2 -0.2986 -0.1927 0.3439 O.3 1 noname -0.1512 4 O3 1.4350 0.3743 -1.3874 O.3 1 noname -0.1528 5 O4 1.6403 1.2918 0.9450 O.3 1 noname -0.1528 6 C1 -1.0533 0.9479 -0.0383 C.3 1 noname 0.0872 7 C2 2.8153 0.6247 -1.6074 C.3 1 noname 0.0597 8 C3 1.4222 1.0193 2.3215 C.3 1 noname 0.0597 9 C4 -2.5405 0.6781 0.1988 C.3 1 noname 0.1159 10 C5 3.0504 0.9182 -3.0905 C.3 1 noname -0.0406 11 C6 1.8612 2.2244 3.1557 C.3 1 noname -0.0406 12 N1 -3.3176 1.8524 -0.1947 N.3 1 noname -0.3175 13 C7 -2.7648 0.3980 1.6140 C.2 1 noname 0.1449 14 O5 -3.2492 -0.6997 1.9647 O.2 1 noname -0.2488 15 O6 -2.4492 1.3245 2.5438 O.3 1 noname -0.2134 16 H1 -0.7421 1.7429 0.6394 H 1 noname 0.0599 17 H2 -0.8963 1.0541 -1.1116 H 1 noname 0.0599 18 H3 3.0400 1.5304 -1.0442 H 1 noname 0.0574 19 H4 3.3226 -0.3087 -1.3634 H 1 noname 0.0574 20 H5 0.3430 0.9096 2.4287 H 1 noname 0.0574 21 H6 2.0813 0.1848 2.5607 H 1 noname 0.0574 22 H7 -2.8971 -0.1759 -0.3770 H 1 noname 0.0596 23 H8 3.1371 -0.0206 -3.6374 H 1 noname 0.0254 24 H9 2.2118 1.4922 -3.4846 H 1 noname 0.0254 25 H10 3.9698 1.4922 -3.2060 H 1 noname 0.0254 26 H11 1.7737 1.9840 4.2153 H 1 noname 0.0254 27 H12 2.8976 2.4691 2.9231 H 1 noname 0.0254 28 H13 1.2252 3.0784 2.9231 H 1 noname 0.0254 29 H14 -2.8565 2.7407 -0.3306 H 1 noname 0.1192 30 H15 -4.3154 1.7753 -0.3306 H 1 noname 0.1192 31 H16 -2.5754 0.9540 3.4204 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 5 8 1 8 6 9 1 9 7 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 13 14 2 14 13 15 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 15 31 1 @SUBSTRUCTURE 1 noname 1