REMARK  Name = BDB013955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.632  -0.913  -0.442  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.848  -0.843   0.880  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.043   0.086   1.677  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.191  -1.767   1.036  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.181  -3.110   1.393  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.999  -3.887   0.553  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.345  -5.198   0.938  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.891  -5.741   2.136  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.080  -4.983   2.966  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.483  -3.397  -0.787  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.273  -3.683   2.597  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.410  -2.202  -0.646  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.925   0.855  -1.614  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.545   0.234  -0.446  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.550   0.777   0.411  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.663   0.386  -2.721  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.698   2.182  -1.443  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.785   2.119  -0.370  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        1.921   3.344  -0.147  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        2.800   3.350  -1.305  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.368   4.196  -1.291  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.409  -1.212   1.641  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.104  -0.243   0.698  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -2.879  -0.710  -0.379  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -3.490   0.210  -1.233  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -3.317   1.584  -1.040  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.527   2.069   0.008  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -1.933   1.142   0.876  0.00  0.00    +0.012 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -2.313   3.556   0.230  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -3.588   4.216   0.759  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -1.816   4.269  -1.032  0.00  0.00    +0.012 C 
ENDBRANCH  27  29
BRANCH  24  32
ATOM     32  O   LIG    1       -2.990  -2.071  -0.495  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1       -3.549  -2.576  -1.700  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7