@MOLECULE DB07329 42 42 1 SMALL USER_CHARGES @ATOM 1 P1 -0.6667 -4.4613 1.4278 P 1 noname 0.0210 2 O1 -1.9176 -5.0039 1.8906 O.2 1 noname -0.2266 3 O2 0.0599 -3.7748 2.5993 O.3 1 noname -0.1915 4 O3 0.2124 -5.5980 0.8739 O.3 1 noname -0.1915 5 C1 -0.9536 -3.3572 0.2357 C.3 1 noname 0.1067 6 N1 0.3165 -2.8062 -0.2342 N.3 1 noname -0.2864 7 C2 1.1510 -3.8854 -0.7600 C.3 1 noname 0.0242 8 C3 0.0623 -1.8279 -1.2905 C.3 1 noname -0.0006 9 C4 2.4194 -3.3352 -1.2293 C.2 1 noname -0.0147 10 C5 -0.8110 -0.6986 -0.7402 C.3 1 noname -0.0398 11 C6 3.4991 -3.2380 -0.3594 C.2 1 noname -0.0250 12 C7 2.5472 -2.9087 -2.5461 C.2 1 noname -0.0250 13 C8 -1.0770 0.3253 -1.8456 C.3 1 noname -0.0427 14 C9 4.7067 -2.7142 -0.8061 C.2 1 noname 0.0284 15 C10 3.7547 -2.3849 -2.9928 C.2 1 noname 0.0284 16 C11 -1.9503 1.4546 -1.2953 C.3 1 noname 0.0335 17 C12 4.8345 -2.2877 -2.1229 C.2 1 noname 0.0350 18 C13 -2.2042 2.4316 -2.3501 C.2 1 noname 0.1348 19 N2 5.9682 -1.7959 -2.5423 N.2 1 noname -0.0156 20 O4 -2.9017 3.4412 -2.1122 O.2 1 noname -0.2559 21 O5 -1.6856 2.2446 -3.5824 O.3 1 noname -0.2189 22 O6 6.6692 -1.2338 -1.8008 O.2 1 noname -0.1448 23 O7 6.3059 -1.9296 -3.7541 O.3 1 noname -0.1448 24 H1 0.4235 -4.4424 3.1856 H 1 noname 0.2260 25 H2 0.5941 -6.0917 1.6034 H 1 noname 0.2260 26 H3 -1.3669 -3.8743 -0.6302 H 1 noname 0.0585 27 H4 -1.4813 -2.5056 0.6651 H 1 noname 0.0585 28 H5 1.3841 -4.5409 0.0791 H 1 noname 0.0481 29 H6 0.6376 -4.2826 -1.6357 H 1 noname 0.0481 30 H7 1.0325 -1.4000 -1.5431 H 1 noname 0.0431 31 H8 -0.5173 -2.3510 -2.0510 H 1 noname 0.0431 32 H9 -1.7732 -1.1415 -0.4834 H 1 noname 0.0280 33 H10 -0.2234 -0.1905 0.0245 H 1 noname 0.0280 34 H11 3.3989 -3.5725 0.6732 H 1 noname 0.0626 35 H12 1.7005 -2.9849 -3.2283 H 1 noname 0.0626 36 H13 -0.1148 0.7682 -2.1024 H 1 noname 0.0272 37 H14 -1.6646 -0.1828 -2.6103 H 1 noname 0.0272 38 H15 5.5533 -2.6380 -0.1239 H 1 noname 0.0647 39 H16 3.8550 -2.0504 -4.0254 H 1 noname 0.0647 40 H17 -2.9207 1.0272 -1.0428 H 1 noname 0.0372 41 H18 -1.3709 1.9782 -0.5349 H 1 noname 0.0372 42 H19 -1.6113 1.3039 -3.7590 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 2 11 9 12 1 12 10 13 1 13 11 14 1 14 12 15 2 15 13 16 1 16 14 17 2 17 15 17 1 18 16 18 1 19 17 19 1 20 18 20 2 21 18 21 1 22 19 22 2 23 19 23 1 24 3 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 7 28 1 29 7 29 1 30 8 30 1 31 8 31 1 32 10 32 1 33 10 33 1 34 11 34 1 35 12 35 1 36 13 36 1 37 13 37 1 38 14 38 1 39 15 39 1 40 16 40 1 41 16 41 1 42 21 42 1 @SUBSTRUCTURE 1 noname 1