REMARK  Name = BDB001101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.964  -0.904  -0.381  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.947   0.027  -0.076  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -1.754   1.470   0.252  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -2.886   2.330  -0.301  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -4.122   2.197   0.446  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.584   3.050   0.740  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.957   1.114   0.539  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -4.555  -0.246   0.098  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.573  -1.210  -0.054  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.284  -2.521  -0.425  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.967  -2.923  -0.645  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.960  -1.964  -0.484  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -6.081   1.295   1.008  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -3.216  -0.638  -0.127  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -1.599  -2.097  -0.621  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1       -1.129  -2.953  -0.876  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.288  -0.556  -0.670  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        2.453   0.081  -1.601  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        1.064  -0.030  -1.503  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.484  -0.781  -0.477  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        1.310  -1.424   0.450  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.700  -1.313   0.353  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.795  -0.435  -0.774  0.00  0.00    +0.119 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.271   0.603   1.391  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        5.426   0.682  -0.058  0.00  0.00    -0.304 NA
ATOM     26  C   LIG    1        5.027   1.992  -0.560  0.00  0.00    +0.104 C 
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 3