REMARK  Name = BDB036948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.553  -2.500  -1.347  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.761  -1.371  -0.794  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -2.265  -0.270  -0.036  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.184   0.561   0.281  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -1.352   1.732   1.040  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.640   2.062   1.474  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.728   1.254   1.165  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.059  -0.014  -0.282  0.00  0.00    -0.334 N 
ATOM      9  C   LIG    1       -3.553   0.089   0.413  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.399  -1.187  -0.910  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.309   0.491  -0.140  0.00  0.00    +0.174 C 
ATOM     12  C   LIG    1        2.087   0.481  -1.451  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1        1.597   0.734  -2.549  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.443   0.252  -1.353  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.954   0.282  -2.226  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.208   0.195  -0.216  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.434   0.173  -0.276  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.465   0.250   1.095  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        2.053  -0.290   0.946  0.00  0.00    +0.044 C 
ENDBRANCH   8  11
TORSDOF 1