@MOLECULE DB02433 48 47 1 SMALL USER_CHARGES @ATOM 1 P1 -0.1538 -6.4696 1.8104 P 1 noname 0.0149 2 O1 -0.9236 -7.5620 1.2742 O.2 1 noname -0.1967 3 O2 -0.5258 -5.1693 1.0740 O.3 1 noname -0.1525 4 O3 -0.4594 -6.3146 3.3118 O.3 1 noname -0.1645 5 O4 1.3470 -6.7566 1.6190 O.3 1 noname -0.1645 6 C1 0.2333 -4.0920 1.6028 C.3 1 noname 0.0911 7 C2 -0.1363 -2.8001 0.8711 C.3 1 noname 0.1069 8 O5 -1.5202 -2.5355 1.0476 O.3 1 noname -0.3878 9 C3 0.6817 -1.6394 1.4408 C.3 1 noname 0.1107 10 O6 2.0656 -1.9040 1.2643 O.3 1 noname -0.3874 11 C4 0.3121 -0.3475 0.7091 C.3 1 noname 0.1097 12 O7 0.5938 -0.4905 -0.6753 O.3 1 noname -0.3874 13 C5 1.1300 0.8132 1.2789 C.3 1 noname 0.0953 14 O8 0.7870 2.0122 0.5998 O.3 1 noname -0.3889 15 C6 2.6211 0.5280 1.0887 C.3 1 noname 0.0280 16 N1 3.4027 1.6372 1.6331 N.3 1 noname -0.2830 17 C7 4.8275 1.3647 1.4514 C.3 1 noname 0.1067 18 C8 3.1126 1.7843 3.0585 C.3 1 noname 0.0501 19 P2 5.1549 1.1986 -0.1573 P 1 noname 0.0210 20 C9 3.9305 2.9450 3.6282 C.3 1 noname 0.1641 21 O9 6.5583 0.9303 -0.3363 O.2 1 noname -0.2266 22 O10 4.7829 2.4989 -0.8938 O.3 1 noname -0.1915 23 O11 4.3317 0.0303 -0.7308 O.3 1 noname -0.1915 24 O12 3.6488 3.0879 5.0126 O.3 1 noname -0.3669 25 O13 3.5875 4.1440 2.9491 O.3 1 noname -0.3669 26 H1 -0.5411 -7.1829 3.7131 H 1 noname 0.2283 27 H2 1.7694 -6.8373 2.4773 H 1 noname 0.2283 28 H3 -0.0841 -3.9947 2.6410 H 1 noname 0.0605 29 H4 1.2721 -4.3265 1.3701 H 1 noname 0.0605 30 H5 0.0067 -2.8973 -0.2051 H 1 noname 0.0653 31 H6 -1.7215 -2.4970 1.9854 H 1 noname 0.2106 32 H7 0.5387 -1.5422 2.5170 H 1 noname 0.0657 33 H8 2.4879 -1.9848 2.1226 H 1 noname 0.2106 34 H9 -0.7578 -0.1480 0.7695 H 1 noname 0.0656 35 H10 0.6392 -1.4232 -0.8980 H 1 noname 0.2106 36 H11 0.8896 0.9929 2.3267 H 1 noname 0.0642 37 H12 0.5906 2.6985 1.2416 H 1 noname 0.2106 38 H13 2.8698 -0.3415 1.6970 H 1 noname 0.0458 39 H14 2.8199 0.5183 0.0170 H 1 noname 0.0458 40 H15 5.3286 2.2592 1.8214 H 1 noname 0.0585 41 H16 4.9898 0.4059 1.9438 H 1 noname 0.0585 42 H17 2.0602 2.0605 3.1237 H 1 noname 0.0483 43 H18 3.4662 0.8689 3.5329 H 1 noname 0.0483 44 H19 5.0074 2.8098 3.5270 H 1 noname 0.0931 45 H20 4.5866 3.1853 -0.2519 H 1 noname 0.2260 46 H21 3.9664 -0.4880 -0.0099 H 1 noname 0.2260 47 H22 3.5671 2.2196 5.4139 H 1 noname 0.2133 48 H23 3.3912 4.8304 3.5910 H 1 noname 0.2133 @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 1 16 16 17 1 17 16 18 1 18 17 19 1 19 18 20 1 20 19 21 2 21 19 22 1 22 19 23 1 23 20 24 1 24 20 25 1 25 4 26 1 26 5 27 1 27 6 28 1 28 6 29 1 29 7 30 1 30 8 31 1 31 9 32 1 32 10 33 1 33 11 34 1 34 12 35 1 35 13 36 1 36 14 37 1 37 15 38 1 38 15 39 1 39 17 40 1 40 17 41 1 41 18 42 1 42 18 43 1 43 20 44 1 44 22 45 1 45 23 46 1 46 24 47 1 47 25 48 1 @SUBSTRUCTURE 1 noname 1