@MOLECULE DB03687 58 59 1 SMALL USER_CHARGES @ATOM 1 P1 -5.1087 -2.6592 -1.8676 P 1 noname 0.0671 2 O1 -5.5723 -2.9659 -3.2114 O.2 1 noname -0.1856 3 O2 -5.2261 -3.8660 -0.8177 O.3 1 noname -0.0270 4 O3 -5.9969 -1.4676 -1.3281 O.3 1 noname -0.1456 5 O4 -3.6144 -2.0822 -1.9221 O.3 1 noname -0.1575 6 P2 -4.6694 -5.3051 -1.1962 P 1 noname 0.0671 7 C1 -5.5047 -1.1075 -0.0290 C.3 1 noname 0.0915 8 O5 -5.3670 -6.2582 -0.3100 O.2 1 noname -0.1856 9 O6 -3.0991 -5.5319 -0.9459 O.3 1 noname -0.1456 10 O7 -5.0910 -5.6823 -2.6626 O.3 1 noname -0.1575 11 C2 -6.1356 0.1956 0.3932 C.3 1 noname 0.1127 12 C3 -2.2137 -4.4266 -1.1503 C.3 1 noname 0.0914 13 O8 -7.5374 -0.0087 0.3462 O.3 1 noname -0.3509 14 C4 -5.7513 0.5513 1.8273 C.3 1 noname 0.1124 15 C5 -0.7769 -4.8632 -0.8571 C.3 1 noname 0.1090 16 C6 -7.9942 1.0539 1.1510 C.3 1 noname 0.1503 17 O9 -4.6836 1.4977 1.8250 O.3 1 noname -0.3873 18 C7 -7.0778 1.0740 2.3940 C.3 1 noname 0.1230 19 O10 0.1018 -3.7663 -1.0600 O.3 1 noname -0.3875 20 C8 -0.6740 -5.3374 0.5939 C.3 1 noname 0.1130 21 N1 -9.4188 0.9735 1.2561 N.3 1 noname 0.0201 22 O11 -7.0124 2.3942 2.9165 O.3 1 noname -0.3860 23 O12 0.6595 -5.7426 0.8660 O.3 1 noname -0.3849 24 C9 -1.0612 -4.1934 1.5331 C.3 1 noname 0.0744 25 C10 -1.6208 -6.5193 0.8125 C.3 1 noname -0.0311 26 C11 -10.1687 1.6525 0.3128 C.2 1 noname -0.0062 27 C12 -10.0419 0.2093 2.2287 C.2 1 noname -0.0556 28 O13 -0.9657 -4.6336 2.8798 O.3 1 noname -0.3932 29 O14 -9.6466 2.3863 -0.7065 O.3 1 noname -0.2484 30 N2 -11.5272 1.5867 0.3838 N.2 1 noname -0.1753 31 C13 -11.4476 0.1517 2.2959 C.2 1 noname 0.0177 32 C14 -12.1328 0.8787 1.3384 C.2 1 noname 0.0498 33 N3 -13.4143 0.8635 1.3668 N.2 1 noname -0.2366 34 H1 -3.2874 -1.9559 -1.0285 H 1 noname 0.2283 35 H2 -5.8576 -1.8824 0.6515 H 1 noname 0.0605 36 H3 -4.4354 -0.9342 -0.1501 H 1 noname 0.0605 37 H4 -5.1168 -6.6378 -2.7524 H 1 noname 0.2283 38 H5 -5.8640 1.0046 -0.2849 H 1 noname 0.0657 39 H6 -2.2819 -4.1887 -2.2118 H 1 noname 0.0605 40 H7 -2.4967 -3.6826 -0.4057 H 1 noname 0.0605 41 H8 -5.2997 -0.2305 2.4380 H 1 noname 0.0657 42 H9 -0.4454 -5.6343 -1.5524 H 1 noname 0.0656 43 H10 -7.9494 2.0341 0.6764 H 1 noname 0.0816 44 H11 -4.4431 1.7109 2.7296 H 1 noname 0.2106 45 H12 -7.4063 0.5368 3.2838 H 1 noname 0.0671 46 H13 0.3806 -3.4182 -0.2099 H 1 noname 0.2106 47 H14 -7.0141 2.3591 3.8758 H 1 noname 0.2107 48 H15 0.7940 -5.7834 1.8157 H 1 noname 0.2110 49 H16 -0.3149 -3.4055 1.4311 H 1 noname 0.0594 50 H17 -2.1160 -3.9687 1.3747 H 1 noname 0.0594 51 H18 -1.7538 -6.6854 1.8815 H 1 noname 0.0261 52 H19 -2.5861 -6.3008 0.3558 H 1 noname 0.0261 53 H20 -1.1969 -7.4137 0.3558 H 1 noname 0.0261 54 H21 -9.4280 -0.3448 2.9387 H 1 noname 0.0758 55 H22 -0.9640 -5.5933 2.9034 H 1 noname 0.2101 56 H23 -9.3012 1.7968 -1.3809 H 1 noname 0.2209 57 H24 -11.9789 -0.4269 3.0516 H 1 noname 0.0672 58 H25 -13.7298 0.8598 2.3262 H 1 noname 0.1893 @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 11 7 1 11 9 12 1 12 11 13 1 13 11 14 1 14 12 15 1 15 13 16 1 16 14 17 1 17 14 18 1 18 15 19 1 19 20 15 1 20 16 21 1 21 16 18 1 22 18 22 1 23 20 23 1 24 20 24 1 25 20 25 1 26 21 26 1 27 21 27 1 28 24 28 1 29 26 29 1 30 26 30 2 31 27 31 2 32 30 32 1 33 31 32 1 34 32 33 2 35 5 34 1 36 7 35 1 37 7 36 1 38 10 37 1 39 11 38 1 40 12 39 1 41 12 40 1 42 14 41 1 43 15 42 1 44 16 43 1 45 17 44 1 46 18 45 1 47 19 46 1 48 22 47 1 49 23 48 1 50 24 49 1 51 24 50 1 52 25 51 1 53 25 52 1 54 25 53 1 55 27 54 1 56 28 55 1 57 29 56 1 58 31 57 1 59 33 58 1 @SUBSTRUCTURE 1 noname 1