@MOLECULE DB02445 32 31 1 SMALL USER_CHARGES @ATOM 1 P1 2.9929 3.6737 -1.4731 P 1 noname 0.0149 2 O1 4.3137 4.2340 -1.8066 O.2 1 noname -0.1967 3 O2 3.0950 2.0885 -1.4133 O.3 1 noname -0.1525 4 O3 2.5040 4.2443 -0.0762 O.3 1 noname -0.1645 5 O4 1.9505 4.0622 -2.6022 O.3 1 noname -0.1645 6 C1 1.8182 1.5550 -1.0245 C.3 1 noname 0.0911 7 C2 1.8553 0.0205 -0.9382 C.3 1 noname 0.1069 8 O5 2.2910 0.4110 0.3446 O.3 1 noname -0.3878 9 C3 0.6772 -0.7114 -0.2730 C.3 1 noname 0.1097 10 O6 -0.4351 -0.5952 -1.1554 O.3 1 noname -0.3874 11 C4 0.9761 -2.2115 0.0389 C.3 1 noname 0.0999 12 O7 -0.2902 -2.7686 0.3707 O.3 1 noname -0.3885 13 C5 1.9593 -2.5910 1.1918 C.3 1 noname 0.0565 14 N1 1.8239 -4.0231 1.4651 N.3 1 noname -0.3235 15 C6 3.4731 -2.4736 0.8944 C.3 1 noname 0.0610 16 O8 4.1053 -1.4995 1.7256 O.3 1 noname -0.3945 17 H1 2.2978 3.5149 0.5129 H 1 noname 0.2283 18 H2 1.5896 3.2631 -2.9931 H 1 noname 0.2283 19 H3 1.6443 1.9369 -0.0185 H 1 noname 0.0605 20 H4 1.1392 1.8227 -1.8341 H 1 noname 0.0605 21 H5 2.2176 -0.5342 -1.8037 H 1 noname 0.0653 22 H6 2.4705 -0.3700 0.8731 H 1 noname 0.2106 23 H7 0.4020 -0.2193 0.6598 H 1 noname 0.0656 24 H8 -1.2425 -0.5109 -0.6430 H 1 noname 0.2106 25 H9 1.4212 -2.6423 -0.8580 H 1 noname 0.0645 26 H10 -0.3818 -2.8089 1.3255 H 1 noname 0.2106 27 H11 1.6822 -1.9352 2.0171 H 1 noname 0.0514 28 H12 0.9064 -4.4347 1.5594 H 1 noname 0.1188 29 H13 2.6480 -4.5994 1.5594 H 1 noname 0.1188 30 H14 3.9393 -3.4194 1.1707 H 1 noname 0.0580 31 H15 3.5827 -2.0875 -0.1190 H 1 noname 0.0580 32 H16 3.9602 -1.7231 2.6478 H 1 noname 0.2100 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 10 24 1 24 11 25 1 25 12 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 16 32 1 @SUBSTRUCTURE 1 noname 1