@MOLECULE DB03111 30 30 1 SMALL USER_CHARGES @ATOM 1 P1 -2.1337 -0.9654 -1.2745 P 1 noname 0.0227 2 O1 -3.5617 -1.0725 -1.4254 O.2 1 noname -0.1948 3 O2 -1.8103 0.0096 -0.1272 O.3 1 noname -0.1319 4 O3 -1.5463 -2.3518 -0.9509 O.3 1 noname -0.1634 5 O4 -1.5171 -0.4397 -2.5841 O.3 1 noname -0.1634 6 C1 -0.3985 0.1154 0.0219 C.3 1 noname 0.1902 7 O5 0.1637 0.6156 -1.2318 O.3 1 noname -0.3414 8 C2 -0.1795 0.9845 1.2986 C.3 1 noname 0.0857 9 C3 1.3448 1.4694 -1.1815 C.3 1 noname 0.1123 10 N1 -1.3683 0.9130 2.1466 N.3 1 noname -0.3212 11 C4 0.0838 2.4570 0.9024 C.3 1 noname 0.1026 12 C5 1.1858 2.6553 -0.1786 C.3 1 noname 0.1102 13 C6 2.5637 0.6312 -0.7911 C.3 1 noname 0.0722 14 O6 0.4172 3.2066 2.0614 O.3 1 noname -0.3884 15 O7 0.9330 3.8531 -0.8981 O.3 1 noname -0.3874 16 O8 2.7613 -0.3939 -1.7537 O.3 1 noname -0.3934 17 H1 -1.4985 -2.4647 0.0012 H 1 noname 0.2283 18 H2 -1.2574 -1.1811 -3.1358 H 1 noname 0.2283 19 H3 0.0863 -0.8560 0.1190 H 1 noname 0.0949 20 H4 0.6479 0.5998 1.8948 H 1 noname 0.0544 21 H5 1.4365 1.8524 -2.1979 H 1 noname 0.0657 22 H6 -1.8314 1.7615 2.4395 H 1 noname 0.1189 23 H7 -1.7265 0.0153 2.4395 H 1 noname 0.1189 24 H8 -0.8495 2.8747 0.5248 H 1 noname 0.0647 25 H9 2.1374 2.8036 0.3319 H 1 noname 0.0656 26 H10 3.4464 1.2672 -0.8582 H 1 noname 0.0591 27 H11 2.3338 0.1146 0.1408 H 1 noname 0.0591 28 H12 0.6245 2.6069 2.7817 H 1 noname 0.2106 29 H13 0.7812 4.5718 -0.2800 H 1 noname 0.2106 30 H14 2.9220 -1.2274 -1.3052 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 11 14 1 14 11 12 1 15 12 15 1 16 13 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 15 29 1 30 16 30 1 @SUBSTRUCTURE 1 noname 1