REMARK  Name = BDB014079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.210   0.967  -0.144  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.818   1.550   0.728  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.171   0.822   0.573  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.722   0.864  -0.800  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        1.639   0.879  -1.807  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.298   0.276  -1.342  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.956  -1.772  -1.885  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.455  -1.065  -0.708  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.640  -0.119  -0.061  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.316   0.000  -0.415  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.542   0.845   0.194  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -2.028   1.652   1.180  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.452   2.364   1.591  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.333   1.656   1.557  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.764   2.450   2.388  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.187   0.656   0.899  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.617   0.569   1.339  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.293  -0.711   0.857  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.915  -1.001  -0.589  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.666  -0.249  -1.040  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.953  -0.258  -0.205  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1        5.774  -1.391  -0.186  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        6.959  -1.355   0.559  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        7.303  -0.199   1.251  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        6.449   0.885   1.172  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        5.298   0.879   0.465  0.00  0.00    -0.257 NA
BRANCH  22  27
ATOM     27  C   LIG    1        5.440  -2.577  -0.914  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        5.157  -3.532  -1.509  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 4