@MOLECULE 76961983 26 25 1 SMALL USER_CHARGES @ATOM 1 P1 2.2488 -1.2618 -0.5523 P 1 noname 0.0000 2 O1 1.4506 0.0355 -0.7796 O.3 1 noname 0.0000 3 O2 3.5276 -1.2345 -1.4100 O.3 1 noname 0.0000 4 O3 2.6308 -1.3756 0.9352 O.3 1 noname 0.0000 5 O4 1.4423 -2.3938 -0.9288 O.2 1 noname 0.0000 6 N1 -1.7355 1.2734 0.5998 N.3 1 noname 0.0000 7 C1 -0.5215 1.2992 -0.2144 C.3 1 noname 0.0000 8 C2 -2.4933 2.5049 0.3841 C.3 1 noname 0.0000 9 C3 -1.3729 1.1653 2.0120 C.3 1 noname 0.0000 10 C4 -2.5543 0.1241 0.2176 C.3 1 noname 0.0000 11 C5 0.2715 0.0104 0.0113 C.3 1 noname 0.0000 12 H1 -0.7919 1.3798 -1.2673 H 1 noname 0.0000 13 H2 0.0889 2.1561 0.0705 H 1 noname 0.0000 14 H3 -3.3984 2.4857 0.9912 H 1 noname 0.0000 15 H4 -2.7636 2.5855 -0.6688 H 1 noname 0.0000 16 H5 -1.8828 3.3618 0.6691 H 1 noname 0.0000 17 H6 -2.2780 1.1461 2.6191 H 1 noname 0.0000 18 H7 -0.8080 0.2471 2.1728 H 1 noname 0.0000 19 H8 -0.7625 2.0222 2.2970 H 1 noname 0.0000 20 H9 -3.4594 0.1048 0.8247 H 1 noname 0.0000 21 H10 -2.8247 0.2046 -0.8353 H 1 noname 0.0000 22 H11 -1.9894 -0.7941 0.3784 H 1 noname 0.0000 23 H12 -0.3390 -0.8465 -0.2737 H 1 noname 0.0000 24 H13 0.5418 -0.0702 1.0642 H 1 noname 0.0000 25 H14 4.2973 -1.2182 -0.8365 H 1 noname 0.0000 26 H15 2.6935 -2.3019 1.1795 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 2 5 2 11 1 6 6 7 1 7 6 8 1 8 6 9 1 9 6 10 1 10 7 11 1 11 7 12 1 12 7 13 1 13 8 14 1 14 8 15 1 15 8 16 1 16 9 17 1 17 9 18 1 18 9 19 1 19 10 20 1 20 10 21 1 21 10 22 1 22 11 23 1 23 11 24 1 24 3 25 1 25 4 26 1 @SUBSTRUCTURE 1 noname 1