REMARK  Name = BDB036932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.182   0.119   1.282  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -0.301   1.292   1.138  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.818   1.175   0.073  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.621  -0.043   0.257  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        0.996  -1.137   1.018  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.539  -1.125   0.822  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1       -6.134  -0.539  -1.108  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -5.048  -0.307  -0.584  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -4.607  -1.041   0.486  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -5.225  -1.773   0.806  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -3.498  -0.816   1.273  0.00  0.00    +0.236 C 
ATOM     12  O   LIG    1       -3.342  -1.484   2.294  0.00  0.00    -0.274 OA
ATOM     13  C   LIG    1       -2.568   0.335   0.824  0.00  0.00    +0.144 C 
ATOM     14  C   LIG    1       -2.711   0.571  -0.685  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -4.171   0.837  -1.023  0.00  0.00    +0.098 C 
ENDBRANCH   1  13
BRANCH   4  16
ATOM     16  C   LIG    1        2.952  -0.088  -0.126  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        3.463   0.764  -1.121  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.805   0.723  -1.520  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.680  -0.180  -0.930  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.208  -1.040   0.054  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.864  -0.992   0.445  0.00  0.00    +0.023 A 
ENDBRANCH   4  16
TORSDOF 2