REMARK  Name = BDB017679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.177  -2.129   1.228  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.484  -1.409   0.969  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.094  -1.462  -0.290  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.303  -0.795  -0.513  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.929  -0.051   0.499  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -5.201   0.646   0.188  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.791   1.462   1.151  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.119   1.881   1.788  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.882   2.363   0.799  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.829   1.659  -0.165  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.070   1.140  -1.391  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.762   0.488  -1.028  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.101  -0.321  -2.088  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.596  -0.458  -3.203  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.323  -0.024   1.763  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.904  -0.894  -1.772  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.474  -1.440  -2.506  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.114  -0.691   1.993  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.720  -0.678   0.704  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        2.664   0.347   0.637  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        1.259  -0.290   0.514  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.917  -1.224   1.612  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.111  -1.983   2.056  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        3.272  -2.039   1.038  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     25  C   LIG    1        6.537   0.722  -1.247  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1        7.008  -0.445  -1.844  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.355  -1.626  -1.547  0.00  0.00    +0.135 A 
ATOM     28  N   LIG    1        5.285  -1.715  -0.723  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1        4.808  -0.586  -0.156  0.00  0.00    +0.125 A 
ATOM     30  C   LIG    1        5.432   0.642  -0.395  0.00  0.00    +0.090 A 
BRANCH  25  32
ATOM     31  C   LIG    1        6.776   3.079  -0.925  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        7.212   1.877  -1.547  0.00  0.00    -0.494 OA
ENDBRANCH  25  32
BRANCH  26  33
ATOM     33  C   LIG    1        8.129  -0.464  -2.730  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        9.033  -0.524  -3.456  0.00  0.00    -0.191 NA
ENDBRANCH  26  33
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5