REMARK  Name = BDB057193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.319  -0.244  -0.182  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -1.972   0.708   0.573  0.00  0.00    -0.277 N 
ATOM      3  H   LIG    1       -1.416   1.336   1.150  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.856  -1.152  -0.806  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.332   0.886   0.738  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1       -3.722   1.978   1.702  0.00  0.00    +0.270 A 
ATOM      7  O   LIG    1       -2.865   2.646   2.277  0.00  0.00    -0.266 OA
ATOM      8  N   LIG    1       -5.067   2.177   1.892  0.00  0.00    -0.327 N 
ATOM      9  H   LIG    1       -5.319   2.907   2.547  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -6.043   1.450   1.259  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -5.725   0.478   0.386  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.316   0.203   0.131  0.00  0.00    +0.038 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.814  -0.278  -0.260  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -6.958  -1.645  -0.018  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -7.992  -2.320  -0.645  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -8.873  -1.733  -1.483  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -8.706  -0.414  -1.712  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -7.705   0.349  -1.133  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  C   LIG    1        3.021  -0.068  -0.214  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.247   1.095  -0.066  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        0.844   1.065  -0.057  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        0.170  -0.150  -0.185  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        0.912  -1.319  -0.350  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        2.313  -1.273  -0.359  0.00  0.00    +0.024 A 
BRANCH  19  29
ATOM     25  C   LIG    1        8.430  -0.762   0.224  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1        7.400   0.114  -0.328  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        6.568  -0.580  -1.333  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1        5.203  -1.108  -0.831  0.00  0.00    +0.120 C 
ATOM     29  N   LIG    1        4.404  -0.032  -0.218  0.00  0.00    -0.327 N 
ATOM     30  C   LIG    1        5.156   1.121   0.306  0.00  0.00    +0.120 C 
ATOM     31  C   LIG    1        6.571   0.687   0.754  0.00  0.00    +0.103 C 
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 4