@MOLECULE DB03287 46 46 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 -0.2228 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 0.0882 18 C10 3.5196 -3.4122 -1.8615 C.2 1 noname 0.1206 19 C11 3.6226 -3.3620 0.4653 C.2 1 noname 0.0432 20 O6 2.7491 -3.2889 -2.8381 O.2 1 noname -0.2478 21 O7 4.6515 -4.1380 -1.9822 O.3 1 noname -0.2107 22 C12 3.7674 -4.6809 0.5569 C.2 1 noname -0.0207 23 O8 4.1693 -5.2235 1.6911 O.3 1 noname -0.2878 24 C13 4.2464 -6.6333 1.5402 C.3 1 noname 0.0648 25 C14 4.7123 -7.2623 2.8548 C.3 1 noname 0.0165 26 N3 4.7917 -8.7138 2.6994 N.3 1 noname -0.3282 27 H1 -0.9778 -4.1530 0.6373 H 1 noname 0.2283 28 H2 -3.3062 -3.6976 0.9586 H 1 noname 0.2283 29 H3 -1.3703 -1.1288 1.2187 H 1 noname 0.0629 30 H4 0.1158 -2.0389 0.4924 H 1 noname 0.0629 31 H5 -1.7840 1.2311 -0.0784 H 1 noname 0.0843 32 H6 3.1962 -0.8346 0.9694 H 1 noname 0.0566 33 H7 1.5937 -1.8284 1.0618 H 1 noname 0.0566 34 H8 3.7993 1.3983 1.0789 H 1 noname 0.2182 35 H9 2.2630 4.2383 0.6385 H 1 noname 0.0296 36 H10 2.9665 3.6567 -0.8896 H 1 noname 0.0296 37 H11 1.3770 4.4577 -0.8896 H 1 noname 0.0296 38 H12 3.8358 -2.7291 1.3268 H 1 noname 0.0668 39 H13 4.9879 -4.3537 -1.1093 H 1 noname 0.2217 40 H14 3.5559 -5.3195 -0.3007 H 1 noname 0.0895 41 H15 3.2243 -6.9620 1.3522 H 1 noname 0.0585 42 H16 5.0201 -6.8038 0.7915 H 1 noname 0.0585 43 H17 5.7321 -6.9238 3.0380 H 1 noname 0.0449 44 H18 3.9363 -7.0820 3.5987 H 1 noname 0.0449 45 H19 3.9457 -9.2630 2.6457 H 1 noname 0.1185 46 H20 5.6925 -9.1675 2.6457 H 1 noname 0.1185 @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 1 26 25 26 1 27 4 27 1 28 5 28 1 29 6 29 1 30 6 30 1 31 9 31 1 32 11 32 1 33 11 33 1 34 13 34 1 35 16 35 1 36 16 36 1 37 16 37 1 38 19 38 1 39 21 39 1 40 22 40 1 41 24 41 1 42 24 42 1 43 25 43 1 44 25 44 1 45 26 45 1 46 26 46 1 @SUBSTRUCTURE 1 noname 1