@MOLECULE DB02635 47 47 1 SMALL USER_CHARGES @ATOM 1 P1 -2.2749 -2.7896 -0.6383 P 1 noname 0.0155 2 O1 -3.1768 -2.9354 -1.7513 O.2 1 noname -0.1965 3 O2 -1.5178 -1.4543 -0.7626 O.3 1 noname -0.1511 4 O3 -1.2664 -3.9534 -0.6389 O.3 1 noname -0.1644 5 O4 -3.0758 -2.8051 0.6770 O.3 1 noname -0.1644 6 C1 -0.6284 -1.3104 0.3349 C.3 1 noname 0.0894 7 C2 0.0893 -0.0445 0.2170 C.2 1 noname -0.0044 8 C3 1.5220 -0.0135 0.1217 C.2 1 noname 0.0076 9 C4 -0.6164 1.2049 0.1931 C.2 1 noname -0.0060 10 C5 2.2489 1.2186 0.0051 C.2 1 noname 0.0324 11 C6 2.2609 -1.2725 0.1440 C.3 1 noname 0.0244 12 N1 0.1080 2.3819 0.0797 N.2 1 noname -0.2528 13 O5 3.5959 1.2292 -0.0835 O.3 1 noname -0.2763 14 C7 1.4954 2.4365 -0.0140 C.2 1 noname 0.0275 15 N2 3.0225 -1.4126 -1.0960 N.3 1 noname -0.3009 16 C8 2.1762 3.7227 -0.1306 C.3 1 noname 0.0427 17 C9 3.7624 -2.6734 -1.0737 C.3 1 noname 0.0966 18 C10 2.7800 -3.8391 -0.9441 C.2 1 noname 0.1439 19 C11 4.5230 -2.8133 -2.3120 C.3 1 noname -0.0194 20 O6 2.8531 -4.6122 0.0354 O.2 1 noname -0.2495 21 O7 1.8341 -4.0327 -1.8877 O.3 1 noname -0.2139 22 C12 5.2973 -4.1327 -2.2886 C.3 1 noname -0.0515 23 C13 5.5055 -1.6476 -2.4416 C.3 1 noname -0.0605 24 C14 6.0944 -4.2794 -3.5864 C.3 1 noname -0.0650 25 H1 -1.0566 -4.1955 0.2660 H 1 noname 0.2283 26 H2 -3.2375 -3.7133 0.9425 H 1 noname 0.2283 27 H3 -1.2513 -1.2471 1.2271 H 1 noname 0.0629 28 H4 0.1071 -2.1092 0.2393 H 1 noname 0.0629 29 H5 -1.7029 1.2600 0.2610 H 1 noname 0.0843 30 H6 2.9873 -1.1962 0.9531 H 1 noname 0.0480 31 H7 1.5197 -2.0717 0.1506 H 1 noname 0.0480 32 H8 3.9747 1.2321 0.7986 H 1 noname 0.2182 33 H9 3.0356 -0.7422 -1.8513 H 1 noname 0.1233 34 H10 2.3841 4.1153 0.8648 H 1 noname 0.0296 35 H11 3.1130 3.5902 -0.6718 H 1 noname 0.0296 36 H12 1.5399 4.4229 -0.6718 H 1 noname 0.0296 37 H13 4.4682 -2.6405 -0.2437 H 1 noname 0.0576 38 H14 3.8030 -2.8034 -3.1303 H 1 noname 0.0321 39 H15 0.9901 -4.2055 -1.4641 H 1 noname 0.2213 40 H16 6.0241 -4.0567 -1.4799 H 1 noname 0.0267 41 H17 4.5565 -4.9322 -2.2823 H 1 noname 0.0267 42 H18 5.7949 -1.3043 -1.4484 H 1 noname 0.0234 43 H19 6.3913 -1.9776 -2.9843 H 1 noname 0.0234 44 H20 5.0303 -0.8305 -2.9843 H 1 noname 0.0234 45 H21 6.2322 -5.3371 -3.8106 H 1 noname 0.0230 46 H22 5.5511 -3.8027 -4.4023 H 1 noname 0.0230 47 H23 7.0678 -3.8027 -3.4707 H 1 noname 0.0230 @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 8 10 1 10 8 11 1 11 9 12 2 12 10 13 1 13 10 14 2 14 11 15 1 15 12 14 1 16 14 16 1 17 17 15 1 18 17 18 1 19 17 19 1 20 18 20 2 21 18 21 1 22 19 22 1 23 19 23 1 24 22 24 1 25 4 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 9 29 1 30 11 30 1 31 11 31 1 32 13 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 19 38 1 39 21 39 1 40 22 40 1 41 22 41 1 42 23 42 1 43 23 43 1 44 23 44 1 45 24 45 1 46 24 46 1 47 24 47 1 @SUBSTRUCTURE 1 noname 1