REMARK  Name = BDB059625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.798  -0.119  -0.112  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -4.537   1.020  -0.119  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -6.042   0.866   0.019  0.00  0.00    +0.279 A 
ATOM      4  O   LIG    1       -6.830   1.804   0.051  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -6.500  -0.459   0.122  0.00  0.00    -0.179 N 
ATOM      6  C   LIG    1       -5.688  -1.574   0.113  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1       -6.512  -2.663   0.239  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1       -7.808  -2.123   0.316  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -7.817  -0.789   0.247  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -4.356  -1.386  -0.002  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.688  -2.160   0.018  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        0.482  -0.263  -0.336  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1       -0.298  -0.496  -1.476  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.692  -0.441  -1.403  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.327  -0.136  -0.192  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -1.552   0.084   0.952  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -0.159   0.028   0.878  0.00  0.00    +0.005 A 
BRANCH  12  18
ATOM     18  C   LIG    1        1.996  -0.309  -0.411  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.590  -1.293   0.505  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1        2.308  -2.668   0.092  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.026  -1.059   0.726  0.00  0.00    +0.084 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.937  -1.174  -0.507  0.00  0.00    +0.015 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.424  -1.024  -0.170  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.866   0.314   0.432  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.450   2.287  -0.366  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        6.752   1.515  -0.512  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   2  27
ATOM     27  C   LIG    1       -4.093   2.474  -0.257  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.827   3.096   1.116  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -2.926   2.754  -1.209  0.00  0.00    +0.012 C 
ENDBRANCH   2  27
BRANCH   7  30
ATOM     30  C   LIG    1       -6.134  -4.032   0.279  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -5.816  -5.148   0.309  0.00  0.00    -0.191 NA
ENDBRANCH   7  30
TORSDOF 10