REMARK  Name = BDB018870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.321   0.711  -1.446  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        3.313   0.596  -0.474  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.301  -0.334  -0.665  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1        1.188  -0.620   0.161  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        0.328  -1.569  -0.566  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1        1.125  -2.090  -1.766  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1        0.944  -0.040   1.396  0.00  0.00    +0.240 C 
ATOM      8  O   LIG    1        1.782   0.659   1.981  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        2.280  -1.142  -1.806  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1        3.275  -1.041  -2.766  0.00  0.00    +0.024 A 
ATOM     11 BR   LIG    1        3.282  -2.143  -4.301  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.297  -0.110  -2.589  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -0.329  -0.421   2.192  0.00  0.00    +0.166 C 
ATOM     14  N   LIG    1       -1.577  -0.690   1.486  0.00  0.00    -0.256 N 
ATOM     15  C   LIG    1       -2.218   0.317   0.802  0.00  0.00    +0.404 C 
ATOM     16  O   LIG    1       -1.721   1.417   0.612  0.00  0.00    -0.226 OA
ATOM     17  C   LIG    1       -2.237  -1.885   1.984  0.00  0.00    +0.112 C 
ATOM     18  C   LIG    1       -1.481  -2.235   3.256  0.00  0.00    +0.021 C 
ATOM     19  C   LIG    1       -0.078  -1.708   2.988  0.00  0.00    +0.033 C 
BRANCH  15  20
ATOM     20  O   LIG    1       -3.430  -0.083   0.344  0.00  0.00    -0.445 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.263   0.812  -0.436  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1       -4.671   2.046   0.377  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -5.525  -0.007  -0.749  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.586   1.191  -1.758  0.00  0.00    +0.055 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   7  13
BRANCH   1  25
ATOM     25  C   LIG    1        5.439   1.685  -1.318  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1        6.333   1.790  -2.144  0.00  0.00    -0.245 OA
BRANCH  25  28
ATOM     27  C   LIG    1        6.358   3.376   0.006  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        5.319   2.416  -0.184  0.00  0.00    -0.464 OA
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 5