REMARK  Name = BDB062859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.116   0.865   0.225  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1        0.261  -0.087  -0.097  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.880   1.086   1.151  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -0.993   2.102   1.822  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.793  -0.052   1.367  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.544  -0.639   0.357  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -2.774  -0.321  -1.045  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -3.610  -1.302  -1.609  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -3.962  -2.261  -0.546  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1       -4.664  -3.243  -0.654  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1       -4.027  -1.296  -2.927  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.590  -0.241  -3.724  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.775   0.770  -3.184  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.371   0.739  -1.841  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.287  -1.791   0.680  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -3.349  -2.350   1.946  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.628  -1.721   2.957  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.856  -0.581   2.671  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.229   1.805   0.054  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.754   1.723  -1.379  0.00  0.00    +0.143 C 
BRANCH  20  22
ATOM     21  O   LIG    1        3.919   2.790  -1.644  0.00  0.00    -0.251 OA
ATOM     22  C   LIG    1        2.701   2.846  -1.678  0.00  0.00    +0.306 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.071   3.993  -1.988  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1        2.793   4.636  -2.153  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1        2.314   1.601   1.143  0.00  0.00    +0.058 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.939   0.223   1.174  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        2.347  -0.809   1.916  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.908  -2.087   1.930  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.071  -2.345   1.209  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.677  -1.325   0.479  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.117  -0.047   0.464  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7