REMARK  Name = BDB050141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.865   1.694  -0.173  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1       -0.453   1.387  -0.474  0.00  0.00    -0.211 N 
ATOM      3  C   LIG    1       -0.913   2.370  -1.334  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1       -2.242   2.262  -1.787  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.993   1.234  -1.378  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.389   0.233  -0.445  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1        0.010   3.268  -1.596  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1       -1.158   0.309  -0.013  0.00  0.00    -0.150 NA
ATOM      9  C   LIG    1        1.109   2.855  -0.890  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.980   0.029   1.165  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        3.106   0.756   0.343  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.755   0.916   0.692  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        1.298   0.342   1.886  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.162  -0.384   2.709  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.499  -0.540   2.350  0.00  0.00    +0.015 A 
BRANCH  10  16
ATOM     16  C   LIG    1        5.416  -0.168   0.826  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        6.188  -0.814   1.517  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.724   0.464  -0.334  0.00  0.00    -0.461 OA
BRANCH  18  20
ATOM     19  C   LIG    1        7.269  -0.917  -1.586  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        7.088   0.347  -0.766  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -3.097  -0.847   0.021  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1       -2.548  -1.359   0.714  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  CA  LIG    1       -4.531  -0.854   0.308  0.00  0.00    +0.097 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.276  -1.541  -0.844  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -6.790  -1.471  -0.706  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -4.765  -1.571   1.657  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -3.883  -1.078   2.668  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -3.771  -0.120   2.534  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 9