REMARK  Name = BDB058189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.886  -0.013   0.549  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.524   1.293   0.754  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -1.350   2.485   1.068  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -0.328   3.615   0.835  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        1.031   3.010   0.906  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        2.044   3.598   0.018  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        1.742   5.095  -0.163  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1        0.458   5.357  -0.761  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -0.514   4.321  -0.526  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.807   1.628   0.658  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.761   0.751   0.359  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.340  -0.515   0.174  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.052  -0.928   0.260  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -4.338  -1.138  -0.353  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -2.800  -1.325  -0.347  0.00  0.00    +0.054 C 
ATOM     16  N   LIG    1       -2.241  -0.370   0.672  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1       -2.497  -0.811   2.071  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -2.163  -2.296   2.287  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -2.861  -3.132   1.353  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -2.470  -2.800   0.009  0.00  0.00    +0.185 C 
ATOM     21  C   LIG    1       -2.319  -0.999  -1.776  0.00  0.00    +0.034 C 
ENDBRANCH   1  16
BRANCH  12  22
ATOM     22  C   LIG    1        2.360  -1.523  -0.148  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.037  -2.860  -0.371  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1        2.925  -3.843  -0.676  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        4.218  -3.508  -0.769  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1        4.656  -2.208  -0.564  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        3.723  -1.216  -0.253  0.00  0.00    +0.016 A 
BRANCH  25  28
ATOM     28  N   LIG    1        5.133  -4.518  -1.079  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        5.627  -4.280  -1.933  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        5.812  -4.603  -0.330  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  12  22
TORSDOF 3