@MOLECULE DB02512 34 33 1 SMALL USER_CHARGES @ATOM 1 P1 4.6482 0.6577 -3.5375 P 1 noname 0.0162 2 O1 4.6365 -0.5736 -4.2840 O.2 1 noname -0.1964 3 O2 3.7207 0.5258 -2.3152 O.3 1 noname -0.1490 4 O3 6.0825 0.9572 -3.0636 O.3 1 noname -0.1643 5 O4 4.1538 1.8070 -4.4354 O.3 1 noname -0.1643 6 C1 3.7322 1.7401 -1.5791 C.3 1 noname 0.1237 7 C2 2.8529 1.6150 -0.4203 C.2 1 noname 0.1744 8 O5 1.6376 1.3710 -0.5814 O.2 1 noname -0.2780 9 C3 3.3931 1.7750 0.9266 C.3 1 noname 0.1431 10 O6 3.3117 3.1398 1.3102 O.3 1 noname -0.3823 11 C4 2.5844 0.9210 1.9052 C.3 1 noname 0.1153 12 O7 2.6659 -0.4438 1.5215 O.3 1 noname -0.3870 13 C5 3.1506 1.0886 3.3167 C.3 1 noname 0.1073 14 O8 2.4000 0.2960 4.2249 O.3 1 noname -0.3877 15 C6 3.0628 2.5591 3.7300 C.3 1 noname 0.0911 16 O9 3.5882 2.7147 5.0401 O.3 1 noname -0.1525 17 P2 3.4999 4.1948 5.4561 P 1 noname 0.0149 18 O10 4.0327 4.3525 6.7846 O.2 1 noname -0.1967 19 O11 4.3139 5.0543 4.4712 O.3 1 noname -0.1645 20 O12 2.0278 4.6466 5.4365 O.3 1 noname -0.1645 21 H1 6.1079 0.9625 -2.1040 H 1 noname 0.2283 22 H2 3.8425 2.5306 -3.8867 H 1 noname 0.2283 23 H3 4.7481 1.8600 -1.2027 H 1 noname 0.0661 24 H4 3.3001 2.4980 -2.2326 H 1 noname 0.0661 25 H5 4.4517 1.5154 0.9153 H 1 noname 0.0712 26 H6 3.3079 3.2032 2.2681 H 1 noname 0.2111 27 H7 1.5241 1.1709 1.8693 H 1 noname 0.0660 28 H8 2.6988 -0.9954 2.3065 H 1 noname 0.2107 29 H9 4.1732 0.7171 3.3821 H 1 noname 0.0653 30 H10 2.6289 0.5378 5.1253 H 1 noname 0.2106 31 H11 3.7250 3.1323 3.0812 H 1 noname 0.0605 32 H12 2.0088 2.8262 3.8059 H 1 noname 0.0605 33 H13 4.8811 5.6533 4.9623 H 1 noname 0.2283 34 H14 1.7109 4.7439 6.3374 H 1 noname 0.2283 @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 2 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 1 16 16 17 1 17 17 18 2 18 17 19 1 19 17 20 1 20 4 21 1 21 5 22 1 22 6 23 1 23 6 24 1 24 9 25 1 25 10 26 1 26 11 27 1 27 12 28 1 28 13 29 1 29 14 30 1 30 15 31 1 31 15 32 1 32 19 33 1 33 20 34 1 @SUBSTRUCTURE 1 noname 1