@MOLECULE DB03718 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 -3.8881 1.6575 2.9517 P 1 noname 0.0149 2 O1 -5.3194 1.5652 3.0792 O.2 1 noname -0.1967 3 O2 -3.3607 0.4303 2.1853 O.3 1 noname -0.1525 4 O3 -3.5229 2.9398 2.1811 O.3 1 noname -0.1645 5 O4 -3.2498 1.7011 4.3526 O.3 1 noname -0.1645 6 C1 -1.9492 0.5213 2.0597 C.3 1 noname 0.0914 7 C2 -1.4253 -0.6980 1.2982 C.3 1 noname 0.1128 8 O5 -2.0094 -0.7379 0.0164 O.3 1 noname -0.3493 9 C3 0.0539 -0.4946 0.9657 C.3 1 noname 0.1124 10 C4 -1.0441 -1.4453 -0.7630 C.3 1 noname 0.1679 11 O6 0.8390 -1.4008 1.7266 O.3 1 noname -0.3873 12 C5 0.2868 -0.7434 -0.5180 C.3 1 noname 0.1244 13 N1 -1.4449 -1.4753 -2.1146 N.3 1 noname 0.1108 14 O7 1.3487 -1.6719 -0.6812 O.3 1 noname -0.3860 15 N2 -1.6247 -0.3257 -2.7736 N.2 1 noname -0.2236 16 C6 -1.6731 -2.6866 -2.7166 C.2 1 noname 0.1362 17 C7 -2.0188 -0.1881 -4.0739 C.2 1 noname 0.0869 18 O8 -1.5269 -3.7761 -2.1215 O.2 1 noname -0.2377 19 N3 -2.0744 -2.6038 -4.0238 N.2 1 noname -0.1099 20 C8 -2.2523 -1.4281 -4.7189 C.2 1 noname 0.0730 21 O9 -2.6475 -1.4570 -6.0095 O.3 1 noname -0.2491 22 H1 -3.3230 3.6419 2.8046 H 1 noname 0.2283 23 H2 -3.1065 0.8055 4.6670 H 1 noname 0.2283 24 H3 -1.7682 1.4050 1.4478 H 1 noname 0.0605 25 H4 -1.5631 0.4750 3.0779 H 1 noname 0.0605 26 H5 -1.6682 -1.6024 1.8560 H 1 noname 0.0657 27 H6 0.3921 0.5013 1.2520 H 1 noname 0.0657 28 H7 -1.0171 -2.5056 -0.5115 H 1 noname 0.0831 29 H8 0.6984 -1.2384 2.6623 H 1 noname 0.2106 30 H9 0.5872 0.0834 -1.1615 H 1 noname 0.0671 31 H10 1.6663 -1.9496 0.1811 H 1 noname 0.2107 32 H11 -2.1330 0.7908 -4.5396 H 1 noname 0.0899 33 H12 -2.7355 -2.3687 -6.2969 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 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 12 1 14 12 14 1 15 13 15 1 16 13 16 1 17 15 17 2 18 16 18 2 19 16 19 1 20 17 20 1 21 19 20 2 22 20 21 1 23 4 22 1 24 5 23 1 25 6 24 1 26 6 25 1 27 7 26 1 28 9 27 1 29 10 28 1 30 11 29 1 31 12 30 1 32 14 31 1 33 17 32 1 34 21 33 1 @SUBSTRUCTURE 1 noname 1