REMARK  Name = BDB041967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.141  -0.707  -0.043  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.351   0.040   0.027  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        2.573  -0.676   0.027  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        3.805  -0.000   0.097  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        3.853   1.390   0.142  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.672   2.118   0.106  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.526  -2.068  -0.066  0.00  0.00    +0.119 A 
ATOM      8  N   LIG    1        1.395  -2.796  -0.171  0.00  0.00    -0.261 NA
ATOM      9  C   LIG    1        1.443   1.454   0.042  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.240  -2.098  -0.152  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.035   0.799   0.581  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.866   0.540   0.306  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1       -2.832   1.262   0.837  0.00  0.00    -0.240 N 
ATOM     14  H   LIG    1       -3.108   1.919   1.553  0.00  0.00    +0.159 HD
ATOM     15  C   LIG    1       -1.547   0.790   0.966  0.00  0.00    +0.313 C 
ATOM     16  O   LIG    1       -0.874   1.143   1.929  0.00  0.00    -0.252 OA
ATOM     17  N   LIG    1       -1.163  -0.123  -0.010  0.00  0.00    -0.253 N 
ATOM     18  C   LIG    1       -2.093  -0.426  -1.092  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1       -3.485  -0.643  -0.540  0.00  0.00    +0.115 C 
ENDBRANCH   1  17
TORSDOF 1