@MOLECULE DB02328 45 45 1 SMALL USER_CHARGES @ATOM 1 P1 -2.1308 -2.9149 -0.5528 P 1 noname 0.0155 2 O1 -2.8967 -3.2241 -1.7324 O.2 1 noname -0.1965 3 O2 -1.4044 -1.5714 -0.7501 O.3 1 noname -0.1511 4 O3 -1.0947 -4.0274 -0.3073 O.3 1 noname -0.1644 5 O4 -3.0742 -2.8151 0.6603 O.3 1 noname -0.1644 6 C1 -0.6491 -1.2664 0.4131 C.3 1 noname 0.0895 7 C2 0.0396 0.0073 0.2261 C.2 1 noname -0.0023 8 C3 1.4723 0.0881 0.2840 C.2 1 noname 0.0106 9 C4 -0.6956 1.2149 -0.0209 C.2 1 noname -0.0055 10 C5 2.1710 1.3287 0.1033 C.2 1 noname 0.0345 11 C6 2.2409 -1.1278 0.5341 C.3 1 noname 0.0680 12 N1 0.0019 2.4011 -0.1922 N.2 1 noname -0.2527 13 O5 3.5185 1.3863 0.1610 O.3 1 noname -0.2759 14 C7 1.3887 2.5035 -0.1403 C.2 1 noname 0.0281 15 N2 2.5462 -1.7314 -0.6630 N.2 1 noname -0.2252 16 C8 2.0401 3.7960 -0.3325 C.3 1 noname 0.0428 17 C9 3.2176 -2.8152 -0.6775 C.2 1 noname 0.0773 18 C10 3.5196 -3.4122 -1.8615 C.2 1 noname 0.1184 19 C11 3.6226 -3.3620 0.4653 C.2 1 noname 0.0098 20 O6 2.7491 -3.2889 -2.8381 O.2 1 noname -0.2481 21 O7 4.6515 -4.1380 -1.9822 O.3 1 noname -0.2109 22 C12 3.7674 -4.6809 0.5569 C.2 1 noname -0.0450 23 C13 4.2028 -5.2687 1.7856 C.3 1 noname 0.0734 24 P2 4.2924 -6.9069 1.6103 P 1 noname 0.0159 25 O8 4.7309 -7.4989 2.8476 O.2 1 noname -0.2296 26 O9 5.2958 -7.2495 0.4933 O.3 1 noname -0.1938 27 O10 2.9037 -7.4603 1.2403 O.3 1 noname -0.1938 28 H1 -0.9778 -4.1530 0.6373 H 1 noname 0.2283 29 H2 -3.3062 -3.6976 0.9586 H 1 noname 0.2283 30 H3 -1.3703 -1.1288 1.2187 H 1 noname 0.0629 31 H4 0.1158 -2.0389 0.4924 H 1 noname 0.0629 32 H5 -1.7840 1.2311 -0.0784 H 1 noname 0.0843 33 H6 3.1962 -0.8346 0.9694 H 1 noname 0.0566 34 H7 1.5937 -1.8284 1.0618 H 1 noname 0.0566 35 H8 3.7993 1.3983 1.0789 H 1 noname 0.2182 36 H9 2.2630 4.2383 0.6385 H 1 noname 0.0296 37 H10 2.9665 3.6567 -0.8896 H 1 noname 0.0296 38 H11 1.3770 4.4577 -0.8896 H 1 noname 0.0296 39 H12 3.8358 -2.7291 1.3268 H 1 noname 0.0644 40 H13 4.9879 -4.3537 -1.1093 H 1 noname 0.2217 41 H14 3.5383 -5.2572 -0.3394 H 1 noname 0.0585 42 H15 5.2062 -4.8693 1.9334 H 1 noname 0.0461 43 H16 3.4104 -5.0275 2.4942 H 1 noname 0.0461 44 H17 5.3697 -8.2031 0.4111 H 1 noname 0.2259 45 H18 2.4131 -7.6557 2.0420 H 1 noname 0.2259 @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 15 17 2 18 17 18 1 19 17 19 1 20 18 20 2 21 18 21 1 22 19 22 2 23 22 23 1 24 23 24 1 25 24 25 2 26 24 26 1 27 24 27 1 28 4 28 1 29 5 29 1 30 6 30 1 31 6 31 1 32 9 32 1 33 11 33 1 34 11 34 1 35 13 35 1 36 16 36 1 37 16 37 1 38 16 38 1 39 19 39 1 40 21 40 1 41 22 41 1 42 23 42 1 43 23 43 1 44 26 44 1 45 27 45 1 @SUBSTRUCTURE 1 noname 1