REMARK  Name = BDB004567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.454  -1.765  -0.674  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.493  -1.307   0.253  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.361  -0.643  -0.259  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.404  -0.207   0.681  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.569  -0.375   2.002  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.677  -1.004   2.389  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.229  -0.429  -1.654  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.188  -0.883  -2.548  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.633  -1.486   1.587  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.296  -1.555  -2.058  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.920  -2.724   1.052  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.266  -2.392   1.756  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.763  -3.203   1.333  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.697  -2.496  -0.273  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.508  -2.889  -1.105  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.761   0.445   0.230  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.236  -0.145  -0.447  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.672   0.894   1.276  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.885   1.528   0.633  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -2.897   2.850   0.156  0.00  0.00    +0.023 A 
ATOM     21 BR   LIG    1       -1.388   3.997   0.288  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -4.045   3.376  -0.449  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -5.188   2.591  -0.593  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.189   1.278  -0.135  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.047   0.749   0.469  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4