REMARK  Name = BDB021388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199   0.487   0.879  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        3.563   1.013   0.691  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        3.983  -0.351   0.157  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        3.016  -1.377   0.085  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        3.366  -2.663  -0.355  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        4.678  -2.944  -0.733  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        5.637  -1.939  -0.666  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1        7.419  -2.314  -1.177  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        1.595  -1.128   0.469  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        0.807  -2.066   0.559  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1        1.227   0.195   0.705  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        5.300  -0.656  -0.224  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.107   1.267   0.260  0.00  0.00    +0.116 C 
BRANCH   2  15
ATOM     14  C   LIG    1        5.572   2.495   1.243  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        4.433   2.217   0.268  0.00  0.00    +0.006 C 
ENDBRANCH   2  15
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.943   0.657  -0.464  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.486   0.558  -0.323  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1       -3.112   0.863  -1.627  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1       -2.688   1.699  -2.029  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -4.558   1.027  -1.485  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -5.217  -0.115  -0.748  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.463  -0.984   0.063  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -5.101  -2.026   0.748  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.482  -2.190   0.653  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.235  -1.319  -0.132  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.607  -0.286  -0.827  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.961  -0.829   0.152  0.00  0.00    +0.056 C 
ENDBRANCH  16  17
BRANCH  16  28
ATOM     28  O   LIG    1       -0.612   1.960  -1.006  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -1.032   2.626  -0.435  0.00  0.00    +0.210 HD
ENDBRANCH  16  28
ENDBRANCH   1  16
TORSDOF 5