REMARK  Name = BDB018655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.067   0.140   0.190  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.234  -0.688   1.110  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.827  -0.645   0.508  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.023  -1.882   0.884  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.533  -2.926   1.284  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.674  -1.820   0.650  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.164  -2.688   0.767  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.978  -0.638   0.379  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.638   0.590   0.481  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.928   1.768   0.241  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.576   1.711  -0.110  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        0.099   0.483  -0.212  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -0.624  -0.694   0.046  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.072   0.622   0.941  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.146  -0.661  -0.994  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.386   0.215  -1.129  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        1.525   0.430  -0.574  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.967  -0.346  -1.659  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.321  -0.397  -2.003  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        4.256   0.317  -1.257  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        3.837   1.112  -0.191  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        2.482   1.161   0.150  0.00  0.00    +0.012 A 
BRANCH  20  23
ATOM     23  O   LIG    1        5.567   0.250  -1.671  0.00  0.00    -0.456 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.529   0.082  -0.701  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        6.439  -0.904   0.285  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        7.468  -1.046   1.218  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.588  -0.215   1.154  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.685   0.753   0.154  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.658   0.897  -0.779  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  12  17
BRANCH   1  31
ATOM     30  N   LIG    1       -9.490   0.623   0.541  0.00  0.00    -0.174 NA
ATOM     31  C   LIG    1       -8.367   0.398   0.380  0.00  0.00    +0.169 C 
ENDBRANCH   1  31
TORSDOF 4