REMARK  Name = BDB057218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.213  -1.933   2.196  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        1.189  -1.390   2.202  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.732  -1.441   3.490  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        3.026  -1.019   3.735  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.778  -0.532   2.661  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.254  -0.485   1.351  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.762  -2.042   4.458  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.942  -0.931   1.127  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.560  -1.882   3.697  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.092   0.020   0.270  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.334   0.613   0.494  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.764   0.920  -0.699  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.957   1.559  -1.285  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.471   1.859  -2.726  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.312   0.880  -2.998  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.876   0.555  -1.659  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.799  -0.015  -1.089  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.356  -1.594   1.042  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1       -1.116  -1.125   1.409  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1       -0.804  -0.206   1.130  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -2.754  -2.725   1.296  0.00  0.00    -0.270 OA
BRANCH  18  27
ATOM     22  C   LIG    1       -4.933  -0.362  -1.413  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -4.851   1.037  -1.247  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -5.749   1.948  -2.049  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -3.980   1.577  -0.276  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1       -3.164   0.727   0.476  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -3.215  -0.656   0.270  0.00  0.00    +0.044 A 
ATOM     28  C   LIG    1       -4.110  -1.198  -0.658  0.00  0.00    +0.059 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.035  -2.210  -2.453  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.844  -0.805  -2.338  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
BRANCH  25  31
ATOM     31  O   LIG    1       -4.009   2.941  -0.138  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -3.200   3.527   0.874  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 5