REMARK  Name = BDB003692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.105   0.209  -0.739  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1        0.333   0.216  -0.610  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.723  -1.127  -0.512  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.055  -1.490  -0.270  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1        3.041  -0.498  -0.130  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1        2.710   0.859  -0.311  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        3.691   1.875  -0.260  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.369   3.216  -0.471  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.057   3.565  -0.748  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        1.060   2.591  -0.800  0.00  0.00    +0.024 A 
ATOM     11 BR   LIG    1        1.621   5.376  -1.073  0.00  0.00    -0.050 Br
ATOM     12  N   LIG    1       -0.403  -1.910  -0.702  0.00  0.00    -0.342 N 
ATOM     13  C   LIG    1       -0.380  -3.360  -0.725  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1        1.358   1.228  -0.565  0.00  0.00    -0.005 A 
ATOM     15  C   LIG    1       -1.522  -1.118  -0.826  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -2.038   1.329  -0.740  0.00  0.00    +0.342 C 
ATOM     17  O   LIG    1       -2.921   1.472  -1.577  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -1.861   2.142   0.342  0.00  0.00    -0.461 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -2.444   4.425  -0.235  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -2.845   3.171   0.517  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  21
ATOM     21  N   LIG    1        4.369  -0.910   0.131  0.00  0.00    -0.152 NA
ATOM     22  N   LIG    1        4.558  -0.971   1.367  0.00  0.00    -0.062 NA
BRANCH  22  23
ATOM     23  C   LIG    1        5.823  -1.412   1.676  0.00  0.00    +0.338 C 
ATOM     24  O   LIG    1        6.589  -2.038   0.950  0.00  0.00    -0.249 OA
ATOM     25  N   LIG    1        6.188  -1.112   2.952  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1        7.080  -1.442   3.286  0.00  0.00    +0.147 HD
ATOM     27  H   LIG    1        5.540  -0.654   3.574  0.00  0.00    +0.147 HD
ENDBRANCH  22  23
ENDBRANCH   5  21
BRANCH   4  28
ATOM     28  O   LIG    1        2.411  -2.817  -0.155  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        3.379  -2.833  -0.022  0.00  0.00    +0.292 HD
ENDBRANCH   4  28
BRANCH  15  30
ATOM     30  C   LIG    1       -2.913  -1.669  -0.981  0.00  0.00    +0.138 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.346  -2.401   0.221  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1       -3.573  -1.494   1.351  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -4.577  -3.140  -0.069  0.00  0.00    +0.105 C 
ENDBRANCH  30  31
ENDBRANCH  15  30
TORSDOF 8