@MOLECULE DB04555 40 41 1 SMALL USER_CHARGES @ATOM 1 P1 -5.0148 -2.7225 -1.6676 P 1 noname 0.0669 2 O1 -5.3275 -3.0690 -3.0298 O.2 1 noname -0.1856 3 O2 -5.4771 -3.8542 -0.7310 O.3 1 noname -0.0280 4 O3 -5.7388 -1.4165 -1.2910 O.3 1 noname -0.1456 5 O4 -3.4941 -2.5263 -1.5239 O.3 1 noname -0.1575 6 P2 -4.7532 -5.1602 -1.1076 P 1 noname 0.0623 7 C1 -5.4304 -1.0748 0.0524 C.3 1 noname 0.0915 8 O5 -5.1855 -6.2184 -0.2318 O.2 1 noname -0.1871 9 O6 -3.2325 -4.9640 -0.9639 O.3 1 noname -0.1585 10 O7 -5.0876 -5.5308 -2.5645 O.3 1 noname -0.1585 11 C2 -6.1497 0.2227 0.4266 C.3 1 noname 0.1127 12 O8 -7.5610 0.0406 0.2932 O.3 1 noname -0.3508 13 C3 -5.8279 0.5842 1.8816 C.3 1 noname 0.1124 14 C4 -8.0526 1.1094 1.1070 C.3 1 noname 0.1514 15 O9 -4.8815 1.6424 1.9082 O.3 1 noname -0.3873 16 C5 -7.1737 1.0942 2.3788 C.3 1 noname 0.1230 17 N1 -9.4865 1.0184 1.2187 N.3 1 noname 0.0554 18 O10 -7.0264 2.4191 2.8682 O.3 1 noname -0.3860 19 C6 -10.2117 1.6937 0.2611 C.2 1 noname 0.1025 20 C7 -10.1277 0.2691 2.1998 C.2 1 noname -0.0516 21 O11 -9.6409 2.3556 -0.6326 O.2 1 noname -0.2487 22 N2 -11.5788 1.6164 0.3202 N.2 1 noname -0.1587 23 C8 -11.5406 0.1775 2.2999 C.2 1 noname -0.0083 24 C9 -12.2372 0.8979 1.2930 C.2 1 noname -0.0358 25 N3 -13.5770 0.8777 1.2898 N.3 1 noname -0.1313 26 H1 -3.2619 -2.4963 -0.5929 H 1 noname 0.2283 27 H2 -5.8464 -1.8787 0.6597 H 1 noname 0.0605 28 H3 -4.3577 -0.8818 0.0645 H 1 noname 0.0605 29 H4 -3.0003 -4.9340 -0.0329 H 1 noname 0.2283 30 H5 -5.1083 -6.4863 -2.6549 H 1 noname 0.2283 31 H6 -5.8827 1.0289 -0.2567 H 1 noname 0.0657 32 H7 -5.3618 -0.1959 2.4835 H 1 noname 0.0657 33 H8 -7.9997 2.0891 0.6321 H 1 noname 0.0816 34 H9 -4.6795 1.8683 2.8192 H 1 noname 0.2106 35 H10 -7.5810 0.5440 3.2271 H 1 noname 0.0671 36 H11 -7.0276 2.4076 3.8281 H 1 noname 0.2107 37 H12 -9.5014 -0.2645 2.9147 H 1 noname 0.0759 38 H13 -12.0448 -0.3941 3.0791 H 1 noname 0.0666 39 H14 -14.0952 1.7446 1.2886 H 1 noname 0.1257 40 H15 -14.0687 -0.0046 1.2886 H 1 noname 0.1257 @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 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 17 19 1 20 17 20 1 21 19 21 2 22 19 22 1 23 20 23 2 24 22 24 2 25 23 24 1 26 24 25 1 27 5 26 1 28 7 27 1 29 7 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 13 32 1 34 14 33 1 35 15 34 1 36 16 35 1 37 18 36 1 38 20 37 1 39 23 38 1 40 25 39 1 41 25 40 1 @SUBSTRUCTURE 1 noname 1