REMARK  Name = BDB017564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.837  -2.528   1.081  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.446  -1.396   0.167  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.265  -0.271  -0.102  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.690   0.783  -0.846  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.370   1.996  -0.995  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.928   2.772  -1.470  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.574   2.268  -0.420  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.258   1.137   0.253  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.660   1.401   0.738  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.194   0.277   1.627  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.851  -1.079   1.028  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.410  -1.168   0.820  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.148  -2.025   0.339  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.082   3.382  -0.500  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.415   0.687  -1.411  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.643  -0.459  -1.217  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.676  -0.077   0.354  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.164  -1.484  -0.422  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.735  -0.573  -1.833  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.660   0.477  -1.378  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.931   0.367   0.076  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.301   0.932   0.517  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.394   0.212  -0.158  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        4.101  -0.300  -1.507  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        2.920   0.461  -2.153  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.675   0.166   0.365  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        6.620  -0.774  -0.082  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        7.917  -0.836   0.443  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        8.299   0.052   1.439  0.00  0.00    +0.018 A 
ATOM     30 BR   LIG    1       10.046  -0.022   2.154  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        7.395   0.994   1.912  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        6.100   1.043   1.378  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3