REMARK  Name = BDB002124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.091  -0.798  -1.096  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -0.851  -1.778  -0.439  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1       -2.253  -1.857  -0.571  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -2.921  -0.925  -1.404  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -4.332  -0.996  -1.493  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -5.059  -1.972  -0.807  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.396  -2.896  -0.013  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.140   0.036  -2.090  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -3.008  -2.837   0.106  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.743   0.114  -1.942  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.321  -0.703  -0.919  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        1.671  -0.176  -1.730  0.00  0.00    +0.152 HD
BRANCH  11  16
ATOM     13  C   LIG    1        3.482   0.524   2.520  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        4.120   0.312   1.297  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        3.390  -0.086   0.173  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        2.002  -0.261   0.244  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.374  -0.064   1.478  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        2.105   0.332   2.607  0.00  0.00    +0.047 A 
BRANCH  13  20
ATOM     19  C   LIG    1        3.713   1.087   4.817  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.309   0.910   3.538  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   2  21
ATOM     21  O   LIG    1       -0.192  -2.707   0.337  0.00  0.00    -0.504 OA
ATOM     22  H   LIG    1        0.758  -2.521   0.200  0.00  0.00    +0.292 HD
ENDBRANCH   2  21
BRANCH   8  23
ATOM     23  O   LIG    1       -2.703   0.957  -2.946  0.00  0.00    -0.504 OA
ATOM     24  H   LIG    1       -3.464   0.532  -3.375  0.00  0.00    +0.292 HD
ENDBRANCH   8  23
BRANCH  10  25
ATOM     25  N   LIG    1       -0.005   1.156  -2.588  0.00  0.00    -0.333 N 
ATOM     26  H   LIG    1       -0.589   1.468  -3.379  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        0.143   2.319  -1.690  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.243   3.604  -2.492  0.00  0.00    +0.241 C 
ATOM     29  O   LIG    1       -0.003   3.701  -3.692  0.00  0.00    -0.299 OA
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  10  25
TORSDOF 8