@MOLECULE DB03491 42 44 1 SMALL USER_CHARGES @ATOM 1 P1 5.9422 2.2806 2.0551 P 1 noname 0.0669 2 O1 6.1821 3.6992 2.1141 O.2 1 noname -0.1856 3 O2 6.3358 1.7508 0.6637 O.3 1 noname -0.0280 4 O3 4.4487 2.0016 2.3069 O.3 1 noname -0.1456 5 O4 6.7854 1.5721 3.1315 O.3 1 noname -0.1575 6 P2 7.8292 2.0298 0.4118 P 1 noname 0.0623 7 C1 4.2121 0.6027 2.2487 C.3 1 noname 0.0914 8 O5 8.1973 1.5345 -0.8893 O.2 1 noname -0.1871 9 O6 8.6724 1.3214 1.4882 O.3 1 noname -0.1585 10 O7 8.0858 3.5470 0.4749 O.3 1 noname -0.1585 11 C2 2.7284 0.3255 2.4989 C.3 1 noname 0.1103 12 O8 1.9581 0.9727 1.5156 O.3 1 noname -0.3512 13 C3 2.4602 -1.1751 2.3654 C.3 1 noname 0.0867 14 C4 0.7564 0.2212 1.5202 C.3 1 noname 0.1330 15 O9 2.1760 -1.7209 3.6451 O.3 1 noname -0.3900 16 C5 1.2085 -1.2407 1.4949 C.3 1 noname 0.0195 17 N1 -0.1250 0.6733 0.4890 N.3 1 noname 0.0254 18 C6 -0.5704 1.9442 0.3692 C.2 1 noname 0.0396 19 C7 -0.6470 -0.0275 -0.5629 C.2 1 noname -0.0205 20 N2 -0.3734 3.0557 1.1417 N.2 1 noname -0.2035 21 C8 -1.3283 1.9679 -0.8108 C.2 1 noname 0.0953 22 N3 -1.3835 0.7614 -1.3636 N.2 1 noname -0.1980 23 C9 -0.9166 4.2520 0.7385 C.2 1 noname -0.0771 24 C10 -1.8764 3.1982 -1.2217 C.2 1 noname 0.0884 25 N4 -1.6404 4.2836 -0.4292 N.3 1 noname 0.0507 26 N5 -0.7444 5.3629 1.4678 N.3 1 noname -0.1233 27 O10 -2.5515 3.2922 -2.2695 O.2 1 noname -0.2752 28 H1 6.4762 1.8319 4.0024 H 1 noname 0.2283 29 H2 4.4419 0.3113 1.2238 H 1 noname 0.0605 30 H3 4.7794 0.1771 3.0765 H 1 noname 0.0605 31 H4 8.3633 1.5811 2.3592 H 1 noname 0.2283 32 H5 8.1329 3.8257 1.3924 H 1 noname 0.2283 33 H6 2.4151 0.7310 3.4610 H 1 noname 0.0656 34 H7 3.3024 -1.7657 2.0048 H 1 noname 0.0630 35 H8 0.1270 0.4315 2.3849 H 1 noname 0.0824 36 H9 2.1873 -2.6794 3.5939 H 1 noname 0.2105 37 H10 1.5075 -1.4940 0.4778 H 1 noname 0.0338 38 H11 0.4608 -1.8442 2.0095 H 1 noname 0.0338 39 H12 -0.4938 -1.0917 -0.7423 H 1 noname 0.1016 40 H13 -2.0266 5.1683 -0.7262 H 1 noname 0.1400 41 H14 0.1849 5.6475 1.7426 H 1 noname 0.1268 42 H15 -1.5438 5.9156 1.7426 H 1 noname 0.1268 @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 17 18 1 19 17 19 1 20 18 20 1 21 18 21 2 22 19 22 2 23 20 23 2 24 21 24 1 25 21 22 1 26 23 25 1 27 23 26 1 28 24 27 2 29 24 25 1 30 5 28 1 31 7 29 1 32 7 30 1 33 9 31 1 34 10 32 1 35 11 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 16 38 1 41 19 39 1 42 25 40 1 43 26 41 1 44 26 42 1 @SUBSTRUCTURE 1 noname 1