@MOLECULE DB02716 52 54 1 SMALL USER_CHARGES @ATOM 1 P1 9.1628 -0.1416 2.5040 P 1 noname 0.1090 2 O1 9.1290 -0.3238 3.9641 O.2 1 noname -0.1763 3 O2 7.8493 0.6855 2.0776 O.3 1 noname -0.0201 4 O3 9.3974 -1.6215 1.9123 O.3 1 noname -0.0210 5 O4 10.4544 0.7431 2.2375 O.3 1 noname -0.1517 6 P2 7.7382 1.3642 0.6287 P 1 noname 0.0686 7 P3 8.8986 -2.1364 0.5421 P 1 noname 0.0637 8 O5 6.6324 2.3368 0.6304 O.2 1 noname -0.1855 9 O6 7.4758 0.1974 -0.4010 O.3 1 noname -0.1455 10 O7 9.0776 2.1359 0.3267 O.3 1 noname -0.1575 11 O8 9.3027 -3.5076 0.3686 O.2 1 noname -0.1869 12 O9 7.3624 -2.0430 0.4869 O.3 1 noname -0.1584 13 O10 9.5059 -1.2761 -0.5816 O.3 1 noname -0.1584 14 C1 7.9258 0.4282 -1.7246 C.3 1 noname 0.0915 15 C2 7.8861 -0.9053 -2.4834 C.3 1 noname 0.1130 16 O11 6.7520 -1.7261 -2.1711 O.3 1 noname -0.3482 17 C3 7.8539 -0.5987 -3.9747 C.3 1 noname 0.1127 18 C4 6.6027 -2.5587 -3.3241 C.3 1 noname 0.1610 19 O12 9.1593 -0.8058 -4.5099 O.3 1 noname -0.3873 20 C5 6.7960 -1.5702 -4.4901 C.3 1 noname 0.1259 21 N1 5.3827 -3.3216 -3.2697 N.3 1 noname -0.0131 22 O13 7.1938 -2.2230 -5.6834 O.3 1 noname -0.3857 23 C6 5.0945 -4.2192 -2.3050 C.2 1 noname 0.0256 24 C7 4.3238 -3.2935 -4.1183 C.2 1 noname 0.0336 25 N2 5.7989 -4.6431 -1.2205 N.3 1 noname 0.1046 26 C8 3.8216 -4.7113 -2.5614 C.2 1 noname 0.1928 27 N3 3.3751 -4.1383 -3.6884 N.2 1 noname -0.0297 28 C9 5.2537 -5.5342 -0.3883 C.2 1 noname 0.0478 29 C10 3.2757 -5.6356 -1.6501 C.2 1 noname 0.0997 30 C11 2.1452 -4.3189 -4.3653 C.3 1 noname 0.1808 31 N4 4.0268 -6.0124 -0.5802 N.2 1 noname -0.1569 32 N5 5.9101 -5.9403 0.6296 N.2 1 noname -0.2379 33 O14 2.0367 -6.1271 -1.8219 O.3 1 noname -0.2373 34 H1 10.8400 1.0072 3.0760 H 1 noname 0.2283 35 H2 9.5001 2.3793 1.1537 H 1 noname 0.2283 36 H3 7.0108 -2.0216 1.3799 H 1 noname 0.2283 37 H4 9.8725 -1.8480 -1.2599 H 1 noname 0.2283 38 H5 7.1932 1.0999 -2.1721 H 1 noname 0.0605 39 H6 8.9661 0.7400 -1.6322 H 1 noname 0.0605 40 H7 8.7302 -1.5190 -2.1686 H 1 noname 0.0657 41 H8 7.6601 0.4297 -4.2798 H 1 noname 0.0657 42 H9 7.2982 -3.3974 -3.3569 H 1 noname 0.0854 43 H10 9.7877 -0.9055 -3.7911 H 1 noname 0.2106 44 H11 5.8849 -1.0866 -4.8425 H 1 noname 0.0674 45 H12 7.1518 -3.1738 -5.5572 H 1 noname 0.2107 46 H13 4.2464 -2.6805 -5.0162 H 1 noname 0.1459 47 H14 6.7285 -4.2955 -1.0328 H 1 noname 0.0684 48 H15 1.3433 -4.4367 -3.6366 H 1 noname 0.0879 49 H16 1.9434 -3.4490 -4.9903 H 1 noname 0.0879 50 H17 2.2019 -5.2101 -4.9903 H 1 noname 0.0879 51 H18 5.9190 -6.9502 0.6434 H 1 noname 0.1893 52 H19 1.6341 -6.2868 -0.9652 H 1 noname 0.2201 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 2 11 7 12 1 12 7 13 1 13 9 14 1 14 15 14 1 15 15 16 1 16 15 17 1 17 16 18 1 18 17 19 1 19 17 20 1 20 18 21 1 21 18 20 1 22 20 22 1 23 21 23 1 24 21 24 1 25 23 25 1 26 23 26 2 27 24 27 2 28 25 28 1 29 26 29 1 30 26 27 1 31 27 30 1 32 28 31 1 33 28 32 2 34 29 33 1 35 29 31 2 36 5 34 1 37 10 35 1 38 12 36 1 39 13 37 1 40 14 38 1 41 14 39 1 42 15 40 1 43 17 41 1 44 18 42 1 45 19 43 1 46 20 44 1 47 22 45 1 48 24 46 1 49 25 47 1 50 30 48 1 51 30 49 1 52 30 50 1 53 32 51 1 54 33 52 1 @SUBSTRUCTURE 1 noname 1