@MOLECULE DB03249 42 43 1 SMALL USER_CHARGES @ATOM 1 P1 -4.7407 -3.1962 -2.0679 P 1 noname 0.0149 2 O1 -5.6157 -2.3512 -2.8385 O.2 1 noname -0.1967 3 O2 -3.8766 -2.3265 -1.1360 O.3 1 noname -0.1526 4 O3 -5.5815 -4.1730 -1.2250 O.3 1 noname -0.1645 5 O4 -3.8281 -3.9930 -3.0188 O.3 1 noname -0.1645 6 C1 -3.0136 -3.1598 -0.3762 C.3 1 noname 0.0891 7 C2 -2.1551 -2.2957 0.5496 C.3 1 noname 0.0894 8 O5 -3.0020 -1.5562 1.4321 O.3 1 noname -0.3534 9 C3 -1.2332 -3.1965 1.3802 C.3 1 noname 0.0149 10 C4 -2.0830 -1.2211 2.4759 C.3 1 noname 0.1487 11 C5 -1.2735 -2.5115 2.7395 C.3 1 noname 0.1028 12 C6 0.1879 -3.1294 0.8172 C.3 1 noname -0.0573 13 N1 -2.7854 -0.5756 3.5562 N.3 1 noname 0.0371 14 O6 0.0463 -2.1695 3.1365 O.3 1 noname -0.3767 15 C7 -2.8771 0.7974 3.4826 C.2 1 noname 0.0303 16 C8 -3.3792 -1.2734 4.6027 C.2 1 noname -0.0371 17 C9 0.0087 -1.5308 4.4042 C.3 1 noname 0.0362 18 O7 -2.3594 1.4288 2.5362 O.2 1 noname -0.2797 19 N2 -3.5544 1.4484 4.4806 N.3 1 noname 0.0798 20 C10 -4.0761 -0.6320 5.6599 C.2 1 noname 0.0438 21 C11 -4.1336 0.7821 5.5373 C.2 1 noname 0.0638 22 C12 -4.6792 -1.3598 6.7727 C.3 1 noname -0.0339 23 O8 -4.7287 1.4423 6.4162 O.2 1 noname -0.2887 24 H1 -5.4330 -4.0005 -0.2923 H 1 noname 0.2283 25 H2 -3.2176 -4.5261 -2.5044 H 1 noname 0.2283 26 H3 -3.6703 -3.7698 0.2440 H 1 noname 0.0604 27 H4 -2.3541 -3.6346 -1.1026 H 1 noname 0.0604 28 H5 -1.5902 -1.5562 -0.0180 H 1 noname 0.0632 29 H6 -1.5247 -4.2466 1.4020 H 1 noname 0.0355 30 H7 -1.4063 -0.4041 2.2257 H 1 noname 0.0815 31 H8 -1.6384 -3.1396 3.5522 H 1 noname 0.0649 32 H9 0.9031 -3.0956 1.6391 H 1 noname 0.0235 33 H10 0.3785 -4.0114 0.2057 H 1 noname 0.0235 34 H11 0.2945 -2.2334 0.2057 H 1 noname 0.0235 35 H12 -3.2957 -2.3602 4.5940 H 1 noname 0.0762 36 H13 -0.0146 -2.2851 5.1906 H 1 noname 0.0529 37 H14 0.8956 -0.9084 4.5238 H 1 noname 0.0529 38 H15 -0.8836 -0.9084 4.4711 H 1 noname 0.0529 39 H16 -3.6293 2.4546 4.4358 H 1 noname 0.1418 40 H17 -4.5852 -2.4318 6.5992 H 1 noname 0.0282 41 H18 -4.1689 -1.0955 7.6989 H 1 noname 0.0282 42 H19 -5.7338 -1.0955 6.8507 H 1 noname 0.0282 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 11 1 14 11 14 1 15 13 15 1 16 13 16 1 17 14 17 1 18 15 18 2 19 15 19 1 20 16 20 2 21 19 21 1 22 20 22 1 23 20 21 1 24 21 23 2 25 4 24 1 26 5 25 1 27 6 26 1 28 6 27 1 29 7 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 12 32 1 34 12 33 1 35 12 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 19 39 1 41 22 40 1 42 22 41 1 43 22 42 1 @SUBSTRUCTURE 1 noname 1