@MOLECULE DB03161 58 60 1 SMALL USER_CHARGES @ATOM 1 P1 -4.0923 -1.3564 -4.1606 P 1 noname 0.0747 2 O1 -4.9780 -0.7044 -5.1288 O.2 1 noname -0.1837 3 O2 -5.0457 -2.1476 -3.1372 O.3 1 noname -0.0256 4 O3 -3.1631 -0.2285 -3.5113 O.3 1 noname -0.1242 5 O4 -3.1719 -2.3601 -4.9776 O.3 1 noname -0.1563 6 P2 -4.5671 -3.3855 -2.2322 P 1 noname 0.0674 7 C1 -2.8653 -0.2447 -2.0795 C.3 1 noname 0.2006 8 O5 -5.7891 -4.1591 -1.9118 O.2 1 noname -0.1856 9 O6 -3.9379 -2.8209 -0.8789 O.3 1 noname -0.1456 10 O7 -3.6054 -4.3263 -3.0537 O.3 1 noname -0.1575 11 O8 -1.7402 0.6840 -1.8485 O.3 1 noname -0.3462 12 C2 -4.1520 0.0359 -1.2046 C.3 1 noname 0.1342 13 C3 -2.8318 -3.5443 -0.3175 C.3 1 noname 0.0914 14 C4 -1.5672 1.3415 -0.5647 C.3 1 noname 0.0786 15 O9 -5.3151 -0.1958 -1.9855 O.3 1 noname -0.3849 16 C5 -4.1967 1.4758 -0.6236 C.3 1 noname 0.1131 17 C6 -2.0469 -2.5862 0.6086 C.3 1 noname 0.1100 18 C7 -2.8757 1.8698 0.1077 C.3 1 noname 0.1061 19 O10 -5.2884 1.5889 0.2774 O.3 1 noname -0.3873 20 O11 -2.8906 -1.7175 1.3707 O.3 1 noname -0.3537 21 C8 -1.1966 -3.3378 1.6376 C.3 1 noname 0.0864 22 O12 -2.8068 3.2827 0.2319 O.3 1 noname -0.3878 23 C9 -2.0195 -1.2092 2.3892 C.3 1 noname 0.1256 24 O13 0.1320 -3.5060 1.1591 O.3 1 noname -0.3900 25 C10 -1.2132 -2.4324 2.8721 C.3 1 noname 0.0167 26 N1 -2.6773 -0.3970 3.3867 N.3 1 noname 0.0573 27 C11 -2.4676 0.9647 3.2886 C.2 1 noname 0.1090 28 C12 -3.5189 -0.9029 4.3744 C.2 1 noname -0.0393 29 O14 -1.6891 1.4308 2.4288 O.2 1 noname -0.2475 30 N2 -3.1346 1.7969 4.1584 N.2 1 noname -0.1274 31 C13 -4.2084 -0.0784 5.3090 C.2 1 noname 0.0283 32 C14 -3.9786 1.3141 5.1360 C.2 1 noname 0.0445 33 C15 -5.0754 -0.6161 6.3535 C.3 1 noname -0.0346 34 O15 -4.6046 2.1884 5.9523 O.3 1 noname -0.2561 35 H1 -2.6718 -2.9055 -4.3660 H 1 noname 0.2283 36 H2 -2.4941 -1.2351 -1.8162 H 1 noname 0.0960 37 H3 -3.0730 -4.8472 -2.4480 H 1 noname 0.2283 38 H4 -4.2123 -0.6752 -0.3807 H 1 noname 0.0683 39 H5 -3.2723 -4.3291 0.2973 H 1 noname 0.0605 40 H6 -2.1912 -3.8066 -1.1595 H 1 noname 0.0605 41 H7 -1.1740 0.5567 0.0816 H 1 noname 0.0595 42 H8 -0.9560 2.2137 -0.7964 H 1 noname 0.0595 43 H9 -6.0654 -0.3453 -1.4055 H 1 noname 0.2108 44 H10 -4.4054 2.1858 -1.4239 H 1 noname 0.0658 45 H11 -1.4560 -1.9477 -0.0482 H 1 noname 0.0656 46 H12 -2.9206 1.4800 1.1246 H 1 noname 0.0653 47 H13 -4.9632 1.5552 1.1800 H 1 noname 0.2106 48 H14 -1.5146 -4.3633 1.8258 H 1 noname 0.0630 49 H15 -2.7952 3.5220 1.1616 H 1 noname 0.2106 50 H16 -1.3930 -0.4123 1.9887 H 1 noname 0.0788 51 H17 0.7331 -3.5822 1.9037 H 1 noname 0.2105 52 H18 -1.7870 -2.9341 3.6513 H 1 noname 0.0335 53 H19 -0.1904 -2.1114 3.0695 H 1 noname 0.0335 54 H20 -3.6426 -1.9850 4.4175 H 1 noname 0.0762 55 H21 -5.0495 -1.7053 6.3222 H 1 noname 0.0281 56 H22 -4.7273 -0.2722 7.3274 H 1 noname 0.0281 57 H23 -6.0968 -0.2722 6.1905 H 1 noname 0.0281 58 H24 -4.4344 1.9507 6.8667 H 1 noname 0.2199 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 4 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 7 12 1 12 9 13 1 13 11 14 1 14 12 15 1 15 12 16 1 16 17 13 1 17 14 18 1 18 16 19 1 19 16 18 1 20 17 20 1 21 17 21 1 22 18 22 1 23 20 23 1 24 21 24 1 25 21 25 1 26 23 26 1 27 23 25 1 28 26 27 1 29 26 28 1 30 27 29 2 31 27 30 1 32 28 31 2 33 30 32 2 34 31 33 1 35 31 32 1 36 32 34 1 37 5 35 1 38 7 36 1 39 10 37 1 40 12 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 15 43 1 46 16 44 1 47 17 45 1 48 18 46 1 49 19 47 1 50 21 48 1 51 22 49 1 52 23 50 1 53 24 51 1 54 25 52 1 55 25 53 1 56 28 54 1 57 33 55 1 58 33 56 1 59 33 57 1 60 34 58 1 @SUBSTRUCTURE 1 noname 1