REMARK  Name = BDB053945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.107  -1.006  -0.302  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.026  -0.108  -0.241  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.290  -0.591  -0.070  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.470  -1.973   0.019  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.817  -2.205   0.167  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.234  -3.120   0.251  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.519  -1.026   0.176  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.897  -0.789   0.295  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.038  -1.752   0.482  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.237  -0.873   0.101  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.856   0.573   0.458  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.373   0.530   0.286  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.479   1.560   0.173  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.678   3.008   0.164  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -5.743   3.581   0.273  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -3.444   3.558   0.022  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -3.270   4.550   0.007  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.457   2.621  -0.029  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.265   2.837  -0.105  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.113   1.318   0.051  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.413  -2.888  -0.044  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.585   0.017   0.041  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.880  -2.382  -0.207  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        2.596   0.659  -1.005  0.00  0.00    -0.291 OA
ATOM     25  C   LIG    1        2.483  -0.449  -0.484  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.663  -1.313  -0.024  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.938  -0.605   0.202  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        4.834   0.449   1.218  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        6.218   1.006   1.561  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        6.941   1.504   0.314  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        6.959   0.424  -0.762  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        5.551  -0.112  -1.037  0.00  0.00    +0.085 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 3