REMARK  Name = BDB057424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.931  -0.025   1.133  0.00  0.00    +0.172 A 
ATOM      2  C   LIG    1        0.093   0.613   1.795  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.070   1.420   3.041  0.00  0.00    +0.070 C 
ATOM      4  N   LIG    1        1.241   0.372   1.048  0.00  0.00    -0.197 N 
ATOM      5  C   LIG    1        2.560   0.850   1.260  0.00  0.00    +0.279 C 
ATOM      6  O   LIG    1        2.730   1.663   2.171  0.00  0.00    -0.265 OA
ATOM      7  N   LIG    1        0.971  -0.411  -0.037  0.00  0.00    -0.165 NA
ATOM      8  C   LIG    1       -0.340  -0.670   0.027  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1       -0.959  -1.558  -0.989  0.00  0.00    +0.071 C 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.754   0.467   0.454  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        4.783   1.406   0.303  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        5.935   1.084  -0.423  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        6.066  -0.163  -1.035  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        5.074  -1.122  -0.817  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.918  -0.810  -0.091  0.00  0.00    +0.015 A 
BRANCH  13  16
ATOM     16  N   LIG    1        7.267  -0.521  -1.657  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1        7.175  -1.283  -2.321  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        7.781   0.265  -2.042  0.00  0.00    +0.142 HD
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  19
ATOM     19  O   LIG    1       -2.203  -0.017   1.589  0.00  0.00    -0.452 OA
BRANCH  19  24
ATOM     20  C   LIG    1       -6.708  -0.180  -1.847  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.495  -0.147  -0.964  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -5.375  -1.042   0.108  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.263  -0.990   0.950  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.263  -0.048   0.719  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -3.389   0.874  -0.320  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.502   0.821  -1.161  0.00  0.00    +0.007 A 
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4