@MOLECULE DB04561 41 41 1 SMALL USER_CHARGES @ATOM 1 P1 -0.9111 1.1373 -0.1477 P 1 noname 0.0281 2 O1 -1.5678 2.1678 -0.9822 O.2 1 noname -0.2224 3 O2 -1.9213 0.7395 1.0261 O.3 1 noname -0.1882 4 O3 -0.7421 -0.1849 -1.0458 O.3 1 noname -0.1882 5 C1 0.6330 1.6224 0.5022 C.3 1 noname 0.1663 6 O4 1.4850 2.0679 -0.6069 O.3 1 noname -0.3549 7 C2 1.1461 0.4047 1.3356 C.3 1 noname 0.0152 8 C3 2.9236 1.8462 -0.5120 C.3 1 noname 0.1125 9 C4 2.1481 -0.4566 0.5012 C.3 1 noname 0.0825 10 C5 3.2890 0.3629 -0.1888 C.3 1 noname 0.1073 11 C6 3.5109 2.7621 0.5637 C.3 1 noname 0.1106 12 O5 2.7195 -1.4561 1.3324 O.3 1 noname -0.3905 13 N1 3.6781 -0.2752 -1.3430 N.2 1 noname -0.2268 14 O6 3.2625 4.1170 0.2188 O.3 1 noname -0.3874 15 C7 5.0198 2.5296 0.6632 C.3 1 noname 0.1056 16 C8 4.8464 -0.7781 -1.4306 C.2 1 noname 0.0181 17 O7 5.5649 3.3797 1.6616 O.3 1 noname -0.3878 18 C9 5.6738 2.8410 -0.6844 C.3 1 noname 0.0718 19 O8 5.6825 -0.6861 -0.4133 O.3 1 noname -0.2661 20 C10 5.2511 -1.4417 -2.6309 C.3 1 noname -0.0002 21 O9 7.0743 2.6251 -0.5920 O.3 1 noname -0.3934 22 H1 -1.9766 -0.2167 1.0903 H 1 noname 0.2260 23 H2 -0.6443 -0.9498 -0.4740 H 1 noname 0.2260 24 H3 0.7572 2.4945 1.1442 H 1 noname 0.0761 25 H4 1.7131 0.8177 2.1699 H 1 noname 0.0329 26 H5 0.2787 -0.2273 1.5260 H 1 noname 0.0329 27 H6 3.2929 2.1090 -1.5033 H 1 noname 0.0655 28 H7 1.5895 -0.9924 -0.2663 H 1 noname 0.0625 29 H8 4.1798 0.3424 0.4390 H 1 noname 0.0607 30 H9 3.0206 2.6118 1.5255 H 1 noname 0.0656 31 H10 2.5853 -1.2214 2.2535 H 1 noname 0.2105 32 H11 3.1669 4.6386 1.0191 H 1 noname 0.2106 33 H12 5.2454 1.5145 0.9901 H 1 noname 0.0652 34 H13 5.3443 3.0356 2.5302 H 1 noname 0.2106 35 H14 5.3145 2.1118 -1.4106 H 1 noname 0.0591 36 H15 5.5561 3.9071 -0.8786 H 1 noname 0.0591 37 H16 5.9252 -1.5667 -0.1179 H 1 noname 0.2195 38 H17 5.2015 -2.5206 -2.4840 H 1 noname 0.0317 39 H18 4.5867 -1.1551 -3.4461 H 1 noname 0.0317 40 H19 6.2734 -1.1551 -2.8775 H 1 noname 0.0317 41 H20 7.3317 2.5855 0.3320 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 5 1 1 5 5 6 1 6 5 7 1 7 8 6 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 10 1 13 10 13 1 14 11 14 1 15 11 15 1 16 13 16 2 17 15 17 1 18 15 18 1 19 16 19 1 20 16 20 1 21 18 21 1 22 3 22 1 23 4 23 1 24 5 24 1 25 7 25 1 26 7 26 1 27 8 27 1 28 9 28 1 29 10 29 1 30 11 30 1 31 12 31 1 32 14 32 1 33 15 33 1 34 17 34 1 35 18 35 1 36 18 36 1 37 19 37 1 38 20 38 1 39 20 39 1 40 20 40 1 41 21 41 1 @SUBSTRUCTURE 1 noname 1