REMARK  Name = BDB056739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.196  -2.320   1.204  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.433  -1.464   0.397  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.181  -1.075   0.892  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.316  -1.529   2.110  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.562  -1.011   2.356  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.853  -0.255   1.313  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        0.453  -2.405   2.891  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.809  -0.250   0.411  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.756   0.488  -0.828  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        1.712  -2.800   2.422  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.412  -2.803   0.777  0.00  0.00    -0.438 OA
BRANCH  11  17
ATOM     12  C   LIG    1        7.639   0.800  -0.172  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        6.503  -0.149   0.073  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        5.328   0.251   0.723  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        5.138   1.658   1.211  0.00  0.00    +0.066 C 
ATOM     16  N   LIG    1        4.296  -0.597   0.957  0.00  0.00    -0.218 NA
ATOM     17  C   LIG    1        4.422  -1.875   0.538  0.00  0.00    +0.221 A 
ATOM     18  C   LIG    1        5.548  -2.360  -0.103  0.00  0.00    +0.068 A 
ATOM     19  C   LIG    1        6.600  -1.482  -0.341  0.00  0.00    +0.010 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -3.119   0.524   1.145  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.656   0.204  -0.139  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.806   0.844  -0.509  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.238   0.557  -1.807  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.403   1.144  -2.317  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.143   2.022  -1.518  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.715   2.306  -0.220  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.550   1.719   0.283  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.809   0.808  -3.702  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.203   0.083  -4.469  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.960   1.401  -4.067  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -8.104   1.087  -4.984  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7