@MOLECULE DB03761 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 -4.6917 -2.7919 -2.4949 P 1 noname 0.0149 2 O1 -5.6294 -3.4934 -1.6568 O.2 1 noname -0.1967 3 O2 -3.3887 -2.5446 -1.7122 O.3 1 noname -0.1525 4 O3 -5.2967 -1.4423 -2.9241 O.3 1 noname -0.1645 5 O4 -4.3870 -3.6386 -3.7446 O.3 1 noname -0.1645 6 C1 -2.4641 -1.8529 -2.5386 C.3 1 noname 0.0913 7 C2 -1.1696 -1.6072 -1.7610 C.3 1 noname 0.1100 8 O5 -1.4521 -0.8221 -0.6023 O.3 1 noname -0.3537 9 C3 -0.1756 -0.8527 -2.6495 C.3 1 noname 0.0864 10 C4 -0.1549 -0.3029 -0.2989 C.3 1 noname 0.1257 11 O6 0.8179 -1.7525 -3.1181 O.3 1 noname -0.3900 12 C5 0.4477 0.1196 -1.6567 C.3 1 noname 0.0167 13 N1 -0.2491 0.6497 0.7783 N.3 1 noname 0.0719 14 C6 -0.5016 1.9979 0.5816 C.2 1 noname 0.1145 15 C7 -0.1128 0.1358 2.0587 C.2 1 noname 0.0162 16 O7 -0.6555 2.4624 -0.5686 O.2 1 noname -0.2468 17 N2 -0.5775 2.8070 1.6850 N.2 1 noname -0.1098 18 C8 -0.2014 0.9417 3.2222 C.2 1 noname 0.0711 19 C9 -0.4364 2.3139 2.9644 C.2 1 noname 0.0859 20 F1 -0.0773 0.4608 4.4246 F 1 noname -0.1451 21 O8 -0.5252 3.1677 4.0063 O.3 1 noname -0.2424 22 H1 -5.5256 -0.9317 -2.1441 H 1 noname 0.2283 23 H2 -4.4416 -4.5706 -3.5208 H 1 noname 0.2283 24 H3 -2.2409 -2.5348 -3.3592 H 1 noname 0.0605 25 H4 -2.9238 -0.8860 -2.7433 H 1 noname 0.0605 26 H5 -0.7479 -2.5429 -1.3941 H 1 noname 0.0656 27 H6 -0.5779 -0.4123 -3.5618 H 1 noname 0.0630 28 H7 0.5052 -1.0194 0.1900 H 1 noname 0.0788 29 H8 1.2632 -2.1558 -2.3694 H 1 noname 0.2105 30 H9 1.5197 -0.0757 -1.6286 H 1 noname 0.0335 31 H10 0.0818 1.1183 -1.8952 H 1 noname 0.0335 32 H11 0.0696 -0.9347 2.1535 H 1 noname 0.0790 33 H12 -0.5949 2.6691 4.8237 H 1 noname 0.2200 @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 13 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 2 19 17 19 2 20 18 20 1 21 18 19 1 22 19 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 12 31 1 33 15 32 1 34 21 33 1 @SUBSTRUCTURE 1 noname 1