@MOLECULE DB04205 41 42 1 SMALL USER_CHARGES @ATOM 1 P1 -0.4394 -2.0114 -3.9681 P 1 noname 0.0158 2 O1 -0.9290 -2.5702 -5.2017 O.2 1 noname -0.1964 3 O2 -0.8407 -2.9255 -2.7956 O.3 1 noname -0.1501 4 O3 1.0953 -1.8986 -4.0291 O.3 1 noname -0.1644 5 O4 -1.0491 -0.6126 -3.7605 O.3 1 noname -0.1644 6 C1 -0.3579 -2.3745 -1.5791 C.3 1 noname 0.1056 7 C2 -0.7594 -3.2890 -0.4061 C.3 1 noname 0.1113 8 C3 -1.0994 -1.0963 -1.2769 C.3 1 noname 0.0180 9 O5 -1.8403 -2.6828 0.3006 O.3 1 noname -0.3537 10 C4 0.4330 -3.4622 0.5367 C.3 1 noname 0.0914 11 C5 -2.3354 -1.6713 -0.5995 C.3 1 noname 0.1251 12 O6 0.0629 -4.3051 1.6179 O.3 1 noname -0.1525 13 N1 -3.1554 -0.6502 -0.0018 N.3 1 noname 0.0361 14 P2 1.2631 -4.4795 2.5670 P 1 noname 0.0149 15 C6 -2.9621 -0.2035 1.2955 C.2 1 noname 0.0298 16 C7 -4.1245 -0.0723 -0.8118 C.2 1 noname -0.0377 17 O7 0.8879 -5.3343 3.6634 O.2 1 noname -0.1967 18 O8 1.6911 -3.1040 3.1115 O.3 1 noname -0.1645 19 O9 2.4368 -5.1153 1.7989 O.3 1 noname -0.1645 20 O10 -2.0979 -0.7240 2.0335 O.2 1 noname -0.2798 21 N2 -3.7449 0.8235 1.7440 N.3 1 noname 0.0797 22 C8 -4.9552 1.0071 -0.3867 C.2 1 noname 0.0437 23 C9 -4.6988 1.4155 0.9589 C.2 1 noname 0.0638 24 C10 -5.9638 1.6304 -1.2387 C.3 1 noname -0.0339 25 O11 -5.3730 2.3520 1.4393 O.2 1 noname -0.2887 26 H1 1.4499 -1.8725 -3.1374 H 1 noname 0.2283 27 H2 -1.1270 -0.4338 -2.8205 H 1 noname 0.2283 28 H3 0.7116 -2.2514 -1.7493 H 1 noname 0.0643 29 H4 -1.1277 -4.2561 -0.7483 H 1 noname 0.0656 30 H5 -0.5279 -0.5258 -0.5448 H 1 noname 0.0335 31 H6 -1.3951 -0.6332 -2.2183 H 1 noname 0.0335 32 H7 1.2122 -4.0032 -0.0002 H 1 noname 0.0605 33 H8 0.6524 -2.4933 0.9853 H 1 noname 0.0605 34 H9 -3.0666 -2.1405 -1.2578 H 1 noname 0.0788 35 H10 -4.2371 -0.4801 -1.8163 H 1 noname 0.0762 36 H11 1.6849 -3.1238 4.0713 H 1 noname 0.2283 37 H12 3.0776 -5.4624 2.4237 H 1 noname 0.2283 38 H13 -3.6140 1.1565 2.6885 H 1 noname 0.1418 39 H14 -6.7249 2.1008 -0.6162 H 1 noname 0.0282 40 H15 -5.4918 2.3849 -1.8680 H 1 noname 0.0282 41 H16 -6.4276 0.8708 -1.8680 H 1 noname 0.0282 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 9 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 1 17 14 17 2 18 14 18 1 19 14 19 1 20 15 20 2 21 15 21 1 22 16 22 2 23 21 23 1 24 22 24 1 25 22 23 1 26 23 25 2 27 4 26 1 28 5 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 10 32 1 34 10 33 1 35 11 34 1 36 16 35 1 37 18 36 1 38 19 37 1 39 21 38 1 40 24 39 1 41 24 40 1 42 24 41 1 @SUBSTRUCTURE 1 noname 1