REMARK  Name = BDB052985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.132  -0.145  -1.594  0.00  0.00    -0.223 N 
ATOM      2  C   LIG    1       -1.220  -1.463  -2.016  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -0.588  -1.933  -2.959  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -2.144  -2.327  -1.264  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.864  -1.809  -0.192  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.746  -2.651   0.505  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.892  -3.991   0.130  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.165  -4.502  -0.942  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.659  -0.369   0.152  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1       -2.292  -3.672  -1.640  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -1.836   0.376  -0.540  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -3.353   0.189   1.225  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -3.946  -0.432   1.760  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.314   1.473   1.667  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1       -2.547   2.437   1.066  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1       -1.942   2.304   0.260  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1       -2.650   3.650   1.642  0.00  0.00    -0.181 NA
ATOM     18  C   LIG    1       -3.502   3.440   2.648  0.00  0.00    +0.136 A 
ATOM     19  C   LIG    1       -3.949   2.105   2.711  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  20
ATOM     20  C   LIG    1       -0.189   0.756  -2.252  0.00  0.00    +0.182 C 
BRANCH  20  24
ATOM     21  C   LIG    1        3.693   0.694  -0.319  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.711   1.594   0.094  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        1.458   1.618  -0.533  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.169   0.745  -1.588  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        2.151  -0.166  -1.994  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.401  -0.188  -1.367  0.00  0.00    +0.023 A 
BRANCH  21  29
ATOM     27  C   LIG    1        6.911   0.979   1.628  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1        5.494   1.367   1.288  0.00  0.00    +0.214 C 
ATOM     29  N   LIG    1        4.977   0.604   0.258  0.00  0.00    -0.286 N 
ATOM     30  H   LIG    1        5.588  -0.097  -0.140  0.00  0.00    +0.155 HD
ATOM     31  O   LIG    1        4.937   2.283   1.885  0.00  0.00    -0.276 OA
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5