REMARK  Name = BDB036802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.972   0.238   0.196  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        1.553  -0.994   0.402  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.997  -1.828   0.231  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        1.629   1.261   0.029  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -5.928   2.481  -1.337  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -4.689   1.796  -0.890  0.00  0.00    +0.107 A 
ATOM      7  N   LIG    1       -3.419   2.254  -1.168  0.00  0.00    -0.331 N 
ATOM      8  C   LIG    1       -3.107   3.446  -1.920  0.00  0.00    +0.150 C 
ATOM      9  C   LIG    1       -2.515   1.388  -0.599  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -3.310   0.421   0.008  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -2.705  -0.636   0.705  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.306  -0.697   0.769  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -0.518   0.278   0.141  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.115   1.350  -0.547  0.00  0.00    +0.041 A 
ATOM     15  N   LIG    1       -4.640   0.685  -0.183  0.00  0.00    -0.233 NA
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        2.997  -1.166   0.318  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1        3.303  -2.660   0.173  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        2.455  -3.483  -0.172  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1        4.596  -3.038   0.433  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        4.786  -4.028   0.349  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        5.507  -2.337   1.182  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        6.522  -2.880   1.609  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        5.209  -0.875   1.417  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1        3.714  -0.631   1.553  0.00  0.00    +0.041 C 
ENDBRANCH   2  16
TORSDOF 2