REMARK  Name = BDB029659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.287   1.093  -1.206  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.794   1.489  -2.140  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -2.236   1.171  -1.798  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1       -2.581   0.546  -0.500  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1       -1.450  -0.099   0.187  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1       -1.764   2.598  -1.847  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.204   0.818   0.161  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.905   0.176  -0.231  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.254  -0.899   0.591  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -5.594  -1.215   0.821  0.00  0.00    +0.156 A 
ATOM     11  F   LIG    1       -5.872  -2.260   1.618  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1       -6.591  -0.453   0.230  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1       -6.300   0.605  -0.571  0.00  0.00    -0.246 NA
ATOM     14  C   LIG    1       -4.987   0.884  -0.771  0.00  0.00    +0.134 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -8.056  -0.738   0.431  0.00  0.00    +0.265 C 
ATOM     16  N   LIG    1       -8.398  -1.839   1.202  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.676  -2.361   1.685  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -9.775  -2.133   1.507  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.912  -0.015  -0.071  0.00  0.00    -0.268 OA
ENDBRANCH  12  15
ENDBRANCH   4   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.392   2.065  -1.211  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.817  -0.933   0.792  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        6.224  -1.735  -0.330  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.741  -2.773  -0.729  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        5.071  -1.256  -0.897  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        4.686  -1.805  -1.654  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.434  -0.087  -0.467  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.972   0.652   0.584  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.421   1.787   1.063  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.281   2.200   0.461  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.659   1.530  -0.593  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.264   0.358  -1.067  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.201   0.185   1.216  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        9.310  -1.165   0.578  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        8.078  -1.458   1.422  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5