REMARK  Name = BDB039424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.005   0.852  -0.521  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.155   0.217   0.699  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.179  -0.008   1.311  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.816  -0.194   1.133  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.914   0.136   0.126  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.565  -0.151   0.271  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.113  -0.776   1.454  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.070  -1.105   2.452  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.430  -0.816   2.301  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.638   0.759  -1.019  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.317  -1.103   1.658  0.00  0.00    +0.074 A 
ATOM     12  N   LIG    1       -1.551  -2.277   2.296  0.00  0.00    -0.228 NA
ATOM     13  C   LIG    1       -2.856  -2.561   2.446  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1       -3.944  -1.804   2.045  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -5.060  -2.572   2.448  0.00  0.00    +0.144 A 
ATOM     16  N   LIG    1       -4.720  -3.715   3.053  0.00  0.00    -0.180 NA
ATOM     17  C   LIG    1       -3.699  -0.580   1.400  0.00  0.00    -0.019 A 
ATOM     18  N   LIG    1       -3.370  -3.680   3.035  0.00  0.00    -0.260 N 
ATOM     19  H   LIG    1       -2.847  -4.447   3.437  0.00  0.00    +0.191 HD
ATOM     20  C   LIG    1       -2.339  -0.250   1.220  0.00  0.00    +0.034 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.779   0.356   0.911  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.711   0.585  -0.534  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.659   1.614  -0.967  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.692   1.433  -2.477  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -5.326  -0.028  -2.709  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.064  -0.600  -1.323  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        9.059   0.438  -0.425  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        7.885   0.709  -0.673  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        7.169  -0.055  -1.556  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        7.650  -0.868  -1.914  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        5.856   0.075  -1.929  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.316  -0.779  -2.634  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        5.093   1.285  -1.391  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        6.000   2.376  -0.825  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        7.174   1.861  -0.012  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4