REMARK  Name = BDB046059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.183   1.195  -1.860  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.340   1.778  -0.793  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        0.666   2.470  -0.153  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.551   2.625   0.843  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.042   2.362  -0.611  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.746   1.281   0.205  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        2.328   0.934   1.312  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        3.997   0.670  -0.333  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.517  -0.458   0.317  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.694  -1.077  -0.135  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        6.364  -0.550  -1.262  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        7.540  -1.170  -1.714  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        8.049  -2.295  -1.064  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.389  -2.814   0.047  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.840   0.582  -1.903  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        6.219  -2.209   0.509  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.668   1.191  -1.444  0.00  0.00    +0.012 A 
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.646   1.798  -0.033  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.763   1.145  -0.844  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.017   1.058  -0.080  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -4.814   2.201  -0.075  0.00  0.00    +0.330 A 
ATOM     22  O   LIG    1       -4.517   3.254  -0.637  0.00  0.00    -0.246 OA
ATOM     23  N   LIG    1       -5.985   2.112   0.618  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -6.563   2.937   0.635  0.00  0.00    +0.173 HD
ATOM     25  C   LIG    1       -6.407   1.044   1.344  0.00  0.00    +0.257 A 
ATOM     26  O   LIG    1       -7.451   1.070   1.988  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -5.525  -0.145   1.321  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -6.014  -1.347   2.081  0.00  0.00    +0.042 C 
ATOM     29  C   LIG    1       -5.247  -2.623   1.743  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.753  -2.348   1.681  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -3.434  -1.289   0.622  0.00  0.00    +0.054 C 
ATOM     32  C   LIG    1       -4.369  -0.093   0.631  0.00  0.00    +0.032 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6