@MOLECULE DB03581 29 28 1 SMALL USER_CHARGES @ATOM 1 P1 4.9320 -0.9415 -2.4570 P 1 noname 0.0149 2 O1 5.5696 -0.6460 -3.7139 O.2 1 noname -0.1967 3 O2 3.4057 -0.9843 -2.6535 O.3 1 noname -0.1525 4 O3 5.4217 -2.3075 -1.9416 O.3 1 noname -0.1645 5 O4 5.2871 0.1514 -1.4318 O.3 1 noname -0.1645 6 C1 2.8037 -1.2803 -1.3852 C.3 1 noname 0.0911 7 C2 1.4014 -1.8464 -1.6837 C.3 1 noname 0.1069 8 O5 1.5605 -2.9951 -2.4994 O.3 1 noname -0.3878 9 C3 0.4900 -2.1761 -0.4964 C.3 1 noname 0.1111 10 O6 0.9101 -3.3680 0.1526 O.3 1 noname -0.3874 11 C4 -1.0320 -2.2387 -0.8637 C.3 1 noname 0.1152 12 O7 -1.7425 -2.5603 0.3318 O.3 1 noname -0.3870 13 C5 -1.4712 -3.2197 -1.9918 C.3 1 noname 0.1376 14 O8 -2.8745 -3.5117 -1.9673 O.3 1 noname -0.3827 15 C6 -1.1954 -2.8218 -3.3565 C.2 1 noname 0.1451 16 O9 -0.8830 -1.7009 -3.7415 O.2 1 noname -0.2944 17 H1 5.4213 -2.3063 -0.9816 H 1 noname 0.2283 18 H2 5.1747 -0.1946 -0.5434 H 1 noname 0.2283 19 H3 3.4079 -2.0698 -0.9385 H 1 noname 0.0605 20 H4 2.6895 -0.3252 -0.8724 H 1 noname 0.0605 21 H5 0.8587 -1.0846 -2.2434 H 1 noname 0.0653 22 H6 1.6679 -3.7701 -1.9432 H 1 noname 0.2106 23 H7 0.6488 -1.4057 0.2582 H 1 noname 0.0657 24 H8 0.8673 -3.2465 1.1039 H 1 noname 0.2106 25 H9 -1.3290 -1.2490 -1.2108 H 1 noname 0.0660 26 H10 -1.7976 -3.5142 0.4245 H 1 noname 0.2107 27 H11 -0.8959 -4.1283 -1.8144 H 1 noname 0.0708 28 H12 -3.1726 -3.5737 -1.0568 H 1 noname 0.2111 29 H13 -1.2280 -3.4688 -4.2331 H 1 noname 0.1071 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 13 15 1 15 15 16 2 16 4 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 10 24 1 24 11 25 1 25 12 26 1 26 13 27 1 27 14 28 1 28 15 29 1 @SUBSTRUCTURE 1 noname 1