@MOLECULE DB01960 48 50 1 SMALL USER_CHARGES @ATOM 1 P1 -1.1507 -4.3072 -3.7191 P 1 noname 0.0669 2 O1 -0.6015 -5.3048 -4.6005 O.2 1 noname -0.1856 3 O2 -2.6601 -4.5550 -3.5404 O.3 1 noname -0.0280 4 O3 -0.9283 -2.9088 -4.3245 O.3 1 noname -0.1456 5 O4 -0.4512 -4.3909 -2.3497 O.3 1 noname -0.1575 6 P2 -2.8826 -5.9534 -2.9350 P 1 noname 0.0623 7 C1 -1.4698 -1.9251 -3.4554 C.3 1 noname 0.0915 8 O5 -4.2940 -6.1852 -2.7680 O.2 1 noname -0.1871 9 O6 -2.1831 -6.0372 -1.5656 O.3 1 noname -0.1585 10 O7 -2.2953 -7.0203 -3.8776 O.3 1 noname -0.1585 11 C2 -1.2488 -0.5357 -4.0569 C.3 1 noname 0.1127 12 O8 -1.8933 -0.4586 -5.3186 O.3 1 noname -0.3512 13 C3 -1.8965 0.5260 -3.1484 C.3 1 noname 0.1124 14 C4 -1.9617 0.9613 -5.4002 C.3 1 noname 0.1456 15 O9 -0.8811 1.2907 -2.5155 O.3 1 noname -0.3873 16 C5 -2.6682 1.4113 -4.1194 C.3 1 noname 0.1226 17 N1 -2.3773 1.4560 -6.6816 N.3 1 noname -0.0987 18 O10 -2.3617 2.7740 -3.8635 O.3 1 noname -0.3860 19 C6 -1.9111 0.8482 -7.7833 C.2 1 noname -0.1000 20 C7 -2.7968 2.7913 -6.9902 C.3 1 noname 0.0632 21 N2 -1.5965 -0.4658 -8.0424 N.3 1 noname 0.0147 22 C8 -1.6013 1.8913 -8.6495 C.2 1 noname -0.0361 23 N3 -2.0590 3.0605 -8.1771 N.3 1 noname -0.1073 24 C9 -0.8682 -0.7674 -9.1582 C.2 1 noname 0.0145 25 C10 -0.8375 1.5798 -9.7891 C.2 1 noname 0.0394 26 C11 -2.9079 3.6540 -9.1337 C.3 1 noname -0.0069 27 N4 -0.4924 0.2648 -9.9806 N.2 1 noname -0.1689 28 N5 -0.5398 -2.0000 -9.4336 N.2 1 noname -0.2283 29 O11 -0.4581 2.5377 -10.6615 O.3 1 noname -0.2512 30 H1 -0.3282 -5.3121 -2.1090 H 1 noname 0.2283 31 H2 -2.5427 -2.1163 -3.4324 H 1 noname 0.0605 32 H3 -0.8844 -1.9931 -2.5385 H 1 noname 0.0605 33 H4 -2.0601 -6.9583 -1.3249 H 1 noname 0.2283 34 H5 -1.9061 -7.7273 -3.3577 H 1 noname 0.2283 35 H6 -0.1872 -0.3601 -4.2311 H 1 noname 0.0657 36 H7 -2.4885 0.1356 -2.3206 H 1 noname 0.0657 37 H8 -0.9704 1.4083 -5.4763 H 1 noname 0.0812 38 H9 -0.9745 1.2204 -1.5627 H 1 noname 0.2106 39 H10 -3.7576 1.3945 -4.0866 H 1 noname 0.0671 40 H11 -2.3285 2.9219 -2.9155 H 1 noname 0.2107 41 H12 -3.8567 2.7707 -7.2437 H 1 noname 0.0610 42 H13 -2.4370 3.4568 -6.2055 H 1 noname 0.0610 43 H14 -1.8973 -1.2019 -7.4197 H 1 noname 0.1383 44 H15 -3.6981 4.2065 -8.6253 H 1 noname 0.0398 45 H16 -2.3310 4.3366 -9.7577 H 1 noname 0.0398 46 H17 -3.3509 2.8778 -9.7577 H 1 noname 0.0398 47 H18 -0.4033 -2.5122 -8.5738 H 1 noname 0.1904 48 H19 -0.1528 3.3085 -10.1775 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 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 17 19 1 20 17 20 1 21 19 21 1 22 19 22 2 23 20 23 1 24 21 24 1 25 22 25 1 26 22 23 1 27 23 26 1 28 24 27 1 29 24 28 2 30 25 29 1 31 25 27 2 32 5 30 1 33 7 31 1 34 7 32 1 35 9 33 1 36 10 34 1 37 11 35 1 38 13 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 18 40 1 43 20 41 1 44 20 42 1 45 21 43 1 46 26 44 1 47 26 45 1 48 26 46 1 49 28 47 1 50 29 48 1 @SUBSTRUCTURE 1 noname 1