@MOLECULE DB04047 31 32 1 SMALL USER_CHARGES @ATOM 1 P1 5.8902 0.0167 -0.8769 P 1 noname 0.0677 2 O1 6.9528 -0.9531 -0.8147 O.2 1 noname -0.1854 3 O2 5.3724 0.3028 0.5449 O.3 1 noname -0.0278 4 O3 4.7410 -0.5357 -1.7404 O.3 1 noname -0.1430 5 O4 6.4210 1.3203 -1.5019 O.3 1 noname -0.1574 6 P2 6.5217 0.8553 1.4083 P 1 noname 0.0623 7 C1 3.6931 0.4207 -1.8018 C.3 1 noname 0.1062 8 O5 6.0375 1.1228 2.7378 O.2 1 noname -0.1871 9 O6 7.0525 2.1588 0.7833 O.3 1 noname -0.1585 10 O7 7.6581 -0.1819 1.4749 O.3 1 noname -0.1585 11 C2 2.6035 -0.1031 -2.6203 C.2 1 noname 0.0567 12 N1 1.9671 -1.2612 -2.2664 N.2 1 noname -0.1776 13 C3 2.1941 0.5803 -3.7874 C.2 1 noname 0.0603 14 C4 0.9428 -1.7887 -3.0015 C.2 1 noname 0.1164 15 N2 1.1672 0.0568 -4.5297 N.2 1 noname -0.1840 16 C5 0.5103 -1.1042 -4.1979 C.2 1 noname 0.1245 17 C6 0.2822 -2.9825 -2.6422 C.2 1 noname 0.0916 18 N3 -0.5086 -1.5971 -4.9603 N.2 1 noname -0.1798 19 O8 0.6072 -3.6237 -1.6195 O.2 1 noname -0.2748 20 N4 -0.7209 -3.4062 -3.4530 N.3 1 noname 0.0513 21 C7 -1.1383 -2.7606 -4.5928 C.2 1 noname -0.0737 22 N5 -2.1403 -3.2572 -5.3310 N.3 1 noname -0.1230 23 H1 6.6698 1.9314 -0.8046 H 1 noname 0.2283 24 H2 3.3132 0.5238 -0.7853 H 1 noname 0.0645 25 H3 4.1004 1.2876 -2.3219 H 1 noname 0.0645 26 H4 7.3013 2.7699 1.4807 H 1 noname 0.2283 27 H5 7.8653 -0.3711 2.3930 H 1 noname 0.2283 28 H6 2.6679 1.5063 -4.1132 H 1 noname 0.0860 29 H7 -1.1894 -4.2614 -3.1898 H 1 noname 0.1400 30 H8 -2.9064 -2.6607 -5.6091 H 1 noname 0.1268 31 H9 -2.1295 -4.2281 -5.6091 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 7 11 1 11 11 12 2 12 11 13 1 13 12 14 1 14 13 15 2 15 14 16 2 16 14 17 1 17 15 16 1 18 16 18 1 19 17 19 2 20 17 20 1 21 18 21 2 22 20 21 1 23 21 22 1 24 5 23 1 25 7 24 1 26 7 25 1 27 9 26 1 28 10 27 1 29 13 28 1 30 20 29 1 31 22 30 1 32 22 31 1 @SUBSTRUCTURE 1 noname 1