@MOLECULE DB07426 50 52 1 SMALL USER_CHARGES @ATOM 1 P1 4.6524 0.2304 6.0910 P 1 noname 0.0374 2 O1 4.5648 -1.2034 5.9902 O.2 1 noname -0.2170 3 O2 6.0777 0.6846 5.7249 O.3 1 noname -0.1841 4 O3 4.3299 0.6643 7.5330 O.3 1 noname -0.1841 5 C1 3.5714 0.9218 5.0538 C.3 1 noname 0.3011 6 P2 3.6718 2.5647 5.1693 P 1 noname 0.0374 7 O4 3.8687 0.5217 3.7242 O.3 1 noname -0.3627 8 C2 2.1554 0.4706 5.4176 C.3 1 noname 0.1098 9 O5 4.6445 3.0536 4.2268 O.2 1 noname -0.2170 10 O6 4.0994 2.9537 6.5967 O.3 1 noname -0.1841 11 O7 2.2976 3.1862 4.8578 O.3 1 noname -0.1841 12 O8 1.2250 1.0656 4.5250 O.3 1 noname -0.2712 13 C3 -0.0244 0.6675 4.8459 C.2 1 noname 0.0039 14 C4 -0.5581 -0.4792 4.2693 C.2 1 noname -0.0171 15 C5 -0.7771 1.4042 5.7530 C.2 1 noname -0.0296 16 C6 -1.8445 -0.8891 4.5998 C.2 1 noname -0.0312 17 C7 -2.0635 0.9942 6.0835 C.2 1 noname -0.0479 18 C8 -2.3782 -2.0357 4.0232 C.2 1 noname -0.0362 19 C9 -2.5972 -0.1524 5.5069 C.2 1 noname -0.0587 20 C10 -3.6646 -2.4457 4.3537 C.2 1 noname -0.0330 21 C11 -1.6255 -2.7724 3.1161 C.2 1 noname -0.0459 22 C12 -4.1983 -3.5923 3.7770 C.2 1 noname -0.0363 23 C13 -2.1592 -3.9191 2.5395 C.2 1 noname -0.0530 24 C14 -5.4847 -4.0022 4.1075 C.2 1 noname -0.0409 25 C15 -3.4456 -4.3290 2.8699 C.2 1 noname -0.0459 26 C16 -6.0014 -3.7220 5.3671 C.2 1 noname -0.0475 27 C17 -6.2544 -4.6925 3.1784 C.2 1 noname -0.0475 28 C18 -7.2878 -4.1319 5.6976 C.2 1 noname -0.0576 29 C19 -7.5408 -5.1024 3.5089 C.2 1 noname -0.0576 30 C20 -8.0575 -4.8221 4.7685 C.2 1 noname -0.0604 31 H1 6.5788 0.8443 6.5279 H 1 noname 0.2260 32 H2 4.2073 -0.1140 8.0815 H 1 noname 0.2260 33 H3 3.8801 -0.4368 3.6734 H 1 noname 0.2129 34 H4 2.0861 -0.6022 5.2373 H 1 noname 0.0621 35 H5 1.9144 0.8747 6.4008 H 1 noname 0.0621 36 H6 4.2539 2.1589 7.1123 H 1 noname 0.2260 37 H7 1.8453 3.3908 5.6794 H 1 noname 0.2260 38 H8 0.0322 -1.0569 3.5580 H 1 noname 0.0656 39 H9 -0.3586 2.3033 6.2052 H 1 noname 0.0650 40 H10 -2.6537 1.5719 6.7948 H 1 noname 0.0623 41 H11 -3.6059 -0.4739 5.7660 H 1 noname 0.0629 42 H12 -4.2548 -1.8680 5.0650 H 1 noname 0.0635 43 H13 -0.6167 -2.4510 2.8569 H 1 noname 0.0629 44 H14 -1.5689 -4.4968 1.8281 H 1 noname 0.0623 45 H15 -3.8641 -5.2282 2.4178 H 1 noname 0.0629 46 H16 -5.3978 -3.1807 6.0957 H 1 noname 0.0629 47 H17 -5.8492 -4.9122 2.1907 H 1 noname 0.0629 48 H18 -7.6930 -3.9121 6.6853 H 1 noname 0.0622 49 H19 -8.1444 -5.6436 2.7803 H 1 noname 0.0622 50 H20 -9.0663 -5.1436 5.0276 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 1 13 13 14 2 14 13 15 1 15 14 16 1 16 15 17 2 17 16 18 1 18 16 19 2 19 17 19 1 20 18 20 2 21 18 21 1 22 20 22 1 23 21 23 2 24 22 24 1 25 22 25 2 26 23 25 1 27 24 26 2 28 24 27 1 29 26 28 1 30 27 29 2 31 28 30 2 32 29 30 1 33 3 31 1 34 4 32 1 35 7 33 1 36 8 34 1 37 8 35 1 38 10 36 1 39 11 37 1 40 14 38 1 41 15 39 1 42 17 40 1 43 19 41 1 44 20 42 1 45 21 43 1 46 23 44 1 47 25 45 1 48 26 46 1 49 27 47 1 50 28 48 1 51 29 49 1 52 30 50 1 @SUBSTRUCTURE 1 noname 1