@MOLECULE DB03116 42 42 1 SMALL USER_CHARGES @ATOM 1 P1 5.1039 3.5595 -1.7860 P 1 noname 0.0256 2 O1 6.3779 2.9757 -2.1171 O.2 1 noname -0.1941 3 O2 4.0861 2.4314 -1.4606 O.3 1 noname -0.1242 4 O3 5.2629 4.4769 -0.5594 O.3 1 noname -0.1630 5 O4 4.5912 4.3845 -2.9811 O.3 1 noname -0.1630 6 C1 2.7332 2.7954 -1.0993 C.3 1 noname 0.2671 7 O5 2.7258 3.7193 0.0455 O.3 1 noname -0.3347 8 C2 2.3657 1.4269 -0.7807 C.2 1 noname 0.1665 9 C3 1.8878 3.2753 -2.3210 C.3 1 noname 0.0008 10 C4 1.5206 4.3206 0.5932 C.3 1 noname 0.0946 11 O6 1.2936 0.9852 -0.3800 O.2 1 noname -0.2333 12 O7 3.3428 0.5107 -0.9494 O.3 1 noname -0.2013 13 C5 0.6652 3.1850 1.2006 C.3 1 noname 0.1114 14 C6 1.9868 5.3507 1.6751 C.3 1 noname 0.0072 15 O8 -0.7201 3.4886 1.2212 O.3 1 noname -0.3872 16 C7 1.2836 2.5513 2.4907 C.3 1 noname 0.1206 17 C8 2.3832 4.7921 2.9882 C.2 1 noname 0.0657 18 O9 0.2621 1.8801 3.2512 O.3 1 noname -0.1473 19 C9 2.0417 3.5224 3.2885 C.2 1 noname -0.0015 20 C10 3.0444 5.5490 3.9714 C.2 1 noname 0.0956 21 P2 0.7538 1.0686 4.5447 P 1 noname 0.0169 22 O10 3.3520 5.0908 5.0930 O.2 1 noname -0.2605 23 O11 3.3406 6.8663 3.8515 O.3 1 noname -0.2198 24 O12 -0.3879 0.3554 5.1288 O.2 1 noname -0.1962 25 O13 1.8898 0.0240 4.1952 O.3 1 noname -0.1642 26 O14 1.3317 2.0909 5.6125 O.3 1 noname -0.1642 27 H1 5.3653 3.9406 0.2302 H 1 noname 0.2283 28 H2 4.2935 3.7917 -3.6750 H 1 noname 0.2283 29 H3 1.5113 2.4091 -2.8651 H 1 noname 0.0291 30 H4 1.0491 3.8760 -1.9691 H 1 noname 0.0291 31 H5 2.5128 3.8760 -2.9819 H 1 noname 0.0291 32 H6 0.9544 4.8110 -0.1987 H 1 noname 0.0636 33 H7 3.6569 0.2162 -0.0914 H 1 noname 0.2215 34 H8 0.5755 2.3668 0.4860 H 1 noname 0.0659 35 H9 2.9003 5.8062 1.2927 H 1 noname 0.0345 36 H10 1.1207 5.9729 1.9008 H 1 noname 0.0345 37 H11 -1.0197 3.5543 2.1309 H 1 noname 0.2107 38 H12 2.0162 1.7756 2.2680 H 1 noname 0.0688 39 H13 2.4164 3.2538 4.2762 H 1 noname 0.0609 40 H14 3.4281 7.2554 4.7248 H 1 noname 0.2216 41 H15 2.2667 -0.3226 5.0072 H 1 noname 0.2283 42 H16 1.1485 1.7669 6.4974 H 1 noname 0.2283 @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 6 9 1 9 10 7 1 10 8 11 2 11 8 12 1 12 10 13 1 13 10 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 16 18 1 18 16 19 1 19 17 20 1 20 17 19 2 21 18 21 1 22 20 22 2 23 20 23 1 24 21 24 2 25 21 25 1 26 21 26 1 27 4 27 1 28 5 28 1 29 9 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 12 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 16 38 1 39 19 39 1 40 23 40 1 41 25 41 1 42 26 42 1 @SUBSTRUCTURE 1 noname 1