REMARK  Name = BDB056263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253   2.038  -2.373  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.241   2.986  -2.180  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.086   2.651  -2.458  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        1.391   1.364  -2.906  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.379   0.426  -3.137  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.950   0.767  -2.876  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.091   3.443  -2.617  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.656   2.424  -2.084  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -3.404   1.621  -1.215  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -2.787   0.695  -0.263  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -3.704   0.343   0.904  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -5.046  -0.181   0.368  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -5.672   0.779  -0.667  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -4.795   1.989  -0.978  0.00  0.00    +0.109 C 
BRANCH  12  15
ATOM     15  N   LIG    1       -5.933  -0.611   1.463  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -6.957  -1.569   1.013  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -8.143  -1.706   1.978  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -7.713  -1.498   3.422  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -7.030  -0.143   3.603  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -6.501   0.451   2.289  0.00  0.00    +0.084 C 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  C   LIG    1        2.793   1.013  -3.201  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1        3.455   0.164  -2.317  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1        4.819  -0.244  -2.649  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.165  -1.598  -2.042  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        4.982  -1.630  -0.508  0.00  0.00    +0.060 C 
ATOM     26  C   LIG    1        4.049  -0.508  -0.007  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        2.930  -0.238  -1.009  0.00  0.00    +0.109 C 
ATOM     28  O   LIG    1        3.299   1.483  -4.215  0.00  0.00    -0.270 OA
BRANCH  25  29
ATOM     29  N   LIG    1        6.261  -1.724   0.222  0.00  0.00    -0.299 NA
ATOM     30  C   LIG    1        6.118  -2.131   1.626  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1        6.513  -1.044   2.622  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        7.955  -0.586   2.411  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        8.398  -0.704   0.955  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        7.208  -0.627  -0.002  0.00  0.00    +0.084 C 
ENDBRANCH  25  29
ENDBRANCH   4  21
TORSDOF 4