REMARK  Name = BDB052504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.348   0.884   2.188  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -0.037   0.841   2.006  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -0.950   1.433   2.861  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -2.234   1.223   2.446  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -2.140   0.524   1.335  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -0.589   2.123   3.964  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.749   2.180   4.154  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -0.824   0.264   1.045  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -0.480  -0.276   0.268  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        1.727   1.605   3.335  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        3.536   1.857   3.856  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        4.623  -0.862  -0.022  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        3.530  -1.677   0.562  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        2.788  -1.009   1.742  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        2.160   0.238   1.268  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        3.011   1.095   0.415  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        4.464   0.573   0.316  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.698  -1.093  -1.478  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        9.552   0.023  -2.647  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        8.099  -0.153  -2.490  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        7.309   0.549  -3.346  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        5.979   0.284  -3.071  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        5.985  -0.580  -2.045  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        7.307  -0.891  -1.647  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  N   LIG    1       -3.145   0.059   0.549  0.00  0.00    -0.299 N 
ATOM     26  C   LIG    1       -4.528   0.411   0.930  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -5.184   1.302  -0.148  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -5.180   0.730  -1.509  0.00  0.00    -0.281 NA
ATOM     29  C   LIG    1       -4.258  -0.412  -1.641  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1       -2.926  -0.181  -0.889  0.00  0.00    +0.123 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.507   0.493  -2.093  0.00  0.00    +0.230 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -7.258  -0.557  -1.399  0.00  0.00    -0.257 N 
ATOM     33  N   LIG    1       -7.176  -1.844  -1.813  0.00  0.00    -0.178 NA
ATOM     34  C   LIG    1       -8.016  -2.493  -1.004  0.00  0.00    +0.134 A 
ATOM     35  C   LIG    1       -8.662  -1.635  -0.098  0.00  0.00    +0.041 A 
ATOM     36  C   LIG    1       -8.169  -0.385  -0.390  0.00  0.00    +0.110 A 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  25
TORSDOF 6