REMARK  Name = BDB017513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.585   0.589  -0.885  0.00  0.00    -0.273 N 
ATOM      2  C   LIG    1       -0.186   0.715  -0.868  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        0.142   1.790  -1.659  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        1.460   2.085  -1.772  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        2.389   1.344  -1.129  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.976   0.303  -0.366  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.022   2.360  -2.169  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -1.085   3.534  -2.990  0.00  0.00    +0.154 C 
ATOM      9  N   LIG    1        0.686  -0.048  -0.205  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1       -2.123   1.636  -1.666  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -3.300   1.881  -1.870  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -5.086  -0.896   1.052  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1       -3.846  -0.618   1.916  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1       -2.850   0.297   1.211  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -2.311  -0.367  -0.066  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1       -3.406  -1.120  -0.849  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1       -4.819  -0.704  -0.449  0.00  0.00    +0.033 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.412  -0.353   1.009  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1       -6.122  -0.013   1.499  0.00  0.00    -0.380 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  N   LIG    1        2.881  -0.499   0.328  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        2.368  -1.205   0.835  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.255  -0.479   0.428  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.910  -1.504   1.294  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        4.060  -2.512   2.022  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1        6.254  -1.548   1.440  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        7.081  -0.614   0.771  0.00  0.00    +0.156 A 
ATOM     27  N   LIG    1        6.458   0.335  -0.032  0.00  0.00    -0.219 N 
ATOM     28  N   LIG    1        7.408   1.132  -0.584  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        8.533   0.619  -0.084  0.00  0.00    +0.246 A 
ATOM     30  N   LIG    1        8.384  -0.449   0.748  0.00  0.00    -0.215 NA
ATOM     31  C   LIG    1        5.079   0.392  -0.192  0.00  0.00    +0.138 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4