@MOLECULE DB02484 51 52 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 0.0907 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 0.1015 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 -0.3882 20 C8 -0.6740 -5.3374 0.5939 C.3 1 noname 0.0715 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 -0.3935 24 C9 -10.1687 1.6525 0.3128 C.2 1 noname -0.0062 25 C10 -10.0419 0.2093 2.2287 C.2 1 noname -0.0556 26 O13 -9.6466 2.3863 -0.7065 O.3 1 noname -0.2484 27 N2 -11.5272 1.5867 0.3838 N.2 1 noname -0.1753 28 C11 -11.4476 0.1517 2.2959 C.2 1 noname 0.0177 29 C12 -12.1328 0.8787 1.3384 C.2 1 noname 0.0498 30 N3 -13.4143 0.8635 1.3668 N.2 1 noname -0.2366 31 H1 -3.2874 -1.9559 -1.0285 H 1 noname 0.2283 32 H2 -5.8576 -1.8824 0.6515 H 1 noname 0.0605 33 H3 -4.4354 -0.9342 -0.1501 H 1 noname 0.0605 34 H4 -5.1168 -6.6378 -2.7524 H 1 noname 0.2283 35 H5 -5.8640 1.0046 -0.2849 H 1 noname 0.0657 36 H6 -2.2819 -4.1887 -2.2118 H 1 noname 0.0605 37 H7 -2.4967 -3.6826 -0.4057 H 1 noname 0.0605 38 H8 -5.2997 -0.2305 2.4380 H 1 noname 0.0657 39 H9 -0.4454 -5.6343 -1.5524 H 1 noname 0.0649 40 H10 -7.9494 2.0341 0.6764 H 1 noname 0.0816 41 H11 -4.4431 1.7109 2.7296 H 1 noname 0.2106 42 H12 -7.4063 0.5368 3.2838 H 1 noname 0.0671 43 H13 0.3806 -3.4182 -0.2099 H 1 noname 0.2106 44 H14 -0.8558 -4.4808 1.2429 H 1 noname 0.0591 45 H15 -1.2787 -6.2383 0.6983 H 1 noname 0.0591 46 H16 -7.0141 2.3591 3.8758 H 1 noname 0.2107 47 H17 0.7940 -5.7834 1.8157 H 1 noname 0.2101 48 H18 -9.4280 -0.3448 2.9387 H 1 noname 0.0758 49 H19 -9.3012 1.7968 -1.3809 H 1 noname 0.2209 50 H20 -11.9789 -0.4269 3.0516 H 1 noname 0.0672 51 H21 -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 15 20 1 20 16 21 1 21 16 18 1 22 18 22 1 23 20 23 1 24 21 24 1 25 21 25 1 26 24 26 1 27 24 27 2 28 25 28 2 29 27 29 1 30 28 29 1 31 29 30 2 32 5 31 1 33 7 32 1 34 7 33 1 35 10 34 1 36 11 35 1 37 12 36 1 38 12 37 1 39 14 38 1 40 15 39 1 41 16 40 1 42 17 41 1 43 18 42 1 44 19 43 1 45 20 44 1 46 20 45 1 47 22 46 1 48 23 47 1 49 25 48 1 50 26 49 1 51 28 50 1 52 30 51 1 @SUBSTRUCTURE 1 noname 1