@MOLECULE DB07409 49 51 1 SMALL USER_CHARGES @ATOM 1 P1 3.7647 3.7571 -0.8763 P 1 noname 0.0364 2 O1 2.8706 4.8854 -0.8408 O.2 1 noname -0.2175 3 O2 5.1938 4.2239 -0.5426 O.3 1 noname -0.1845 4 O3 3.7447 3.1304 -2.2828 O.3 1 noname -0.1845 5 C1 3.2794 2.6357 0.2325 C.3 1 noname 0.2812 6 P2 4.3039 1.3429 0.1918 P 1 noname 0.0364 7 O4 3.2979 3.2136 1.5294 O.3 1 noname -0.3642 8 C2 1.8596 2.1719 -0.0990 C.3 1 noname 0.0289 9 O5 5.3842 1.5572 1.1195 O.2 1 noname -0.2175 10 O6 4.8725 1.1831 -1.2304 O.3 1 noname -0.1845 11 O7 3.5360 0.0669 0.5840 O.3 1 noname -0.1845 12 C3 1.4302 1.1797 0.8821 C.2 1 noname -0.0485 13 C4 1.6739 -0.1703 0.6577 C.2 1 noname -0.0416 14 C5 0.7777 1.5849 2.0406 C.2 1 noname -0.0545 15 C6 1.2651 -1.1150 1.5918 C.2 1 noname -0.0390 16 C7 0.3688 0.6402 2.9747 C.2 1 noname -0.0557 17 C8 1.5088 -2.4649 1.3673 C.2 1 noname -0.0395 18 C9 0.6125 -0.7097 2.7503 C.2 1 noname -0.0471 19 C10 1.0999 -3.4096 2.3014 C.2 1 noname -0.0431 20 C11 2.1613 -2.8702 0.2089 C.2 1 noname -0.0431 21 C12 1.3436 -4.7596 2.0770 C.2 1 noname -0.0432 22 C13 2.4050 -4.2201 -0.0156 C.2 1 noname -0.0432 23 C14 1.9962 -5.1648 0.9185 C.2 1 noname -0.0394 24 C15 2.2399 -6.5148 0.6941 C.2 1 noname -0.0409 25 C16 2.8924 -6.9200 -0.4644 C.2 1 noname -0.0477 26 C17 1.8310 -7.4595 1.6282 C.2 1 noname -0.0477 27 C18 3.1361 -8.2699 -0.6888 C.2 1 noname -0.0576 28 C19 2.0747 -8.8094 1.4038 C.2 1 noname -0.0576 29 C20 2.7273 -9.2146 0.2453 C.2 1 noname -0.0607 30 H1 5.3043 4.2600 0.4103 H 1 noname 0.2260 31 H2 3.7457 2.1734 -2.2068 H 1 noname 0.2260 32 H3 3.3073 2.5171 2.1900 H 1 noname 0.2129 33 H4 1.1957 3.0269 0.0290 H 1 noname 0.0363 34 H5 1.8984 1.6505 -1.0554 H 1 noname 0.0363 35 H6 4.9558 0.2497 -1.4387 H 1 noname 0.2260 36 H7 3.4953 -0.0007 1.5407 H 1 noname 0.2260 37 H8 2.1855 -0.4881 -0.2508 H 1 noname 0.0632 38 H9 0.5866 2.6435 2.2166 H 1 noname 0.0625 39 H10 -0.1428 0.9580 3.8831 H 1 noname 0.0622 40 H11 0.2920 -1.4506 3.4827 H 1 noname 0.0629 41 H12 0.5883 -3.0919 3.2099 H 1 noname 0.0629 42 H13 2.4818 -2.1294 -0.5236 H 1 noname 0.0629 43 H14 1.0231 -5.5004 2.8095 H 1 noname 0.0629 44 H15 2.9166 -4.5379 -0.9240 H 1 noname 0.0629 45 H16 3.2129 -6.1792 -1.1969 H 1 noname 0.0629 46 H17 1.3194 -7.1417 2.5366 H 1 noname 0.0629 47 H18 3.6477 -8.5877 -1.5973 H 1 noname 0.0622 48 H19 1.7542 -9.5502 2.1362 H 1 noname 0.0622 49 H20 2.9184 -10.2732 0.0693 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 10 1 10 6 11 1 11 8 12 1 12 12 13 2 13 12 14 1 14 13 15 1 15 14 16 2 16 15 17 1 17 15 18 2 18 16 18 1 19 17 19 2 20 17 20 1 21 19 21 1 22 20 22 2 23 21 23 2 24 22 23 1 25 23 24 1 26 24 25 2 27 24 26 1 28 25 27 1 29 26 28 2 30 27 29 2 31 28 29 1 32 3 30 1 33 4 31 1 34 7 32 1 35 8 33 1 36 8 34 1 37 10 35 1 38 11 36 1 39 13 37 1 40 14 38 1 41 16 39 1 42 18 40 1 43 19 41 1 44 20 42 1 45 21 43 1 46 22 44 1 47 25 45 1 48 26 46 1 49 27 47 1 50 28 48 1 51 29 49 1 @SUBSTRUCTURE 1 noname 1