REMARK  Name = BDB020640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.833   0.230   0.100  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1       -1.675   0.613   1.465  0.00  0.00    -0.303 N 
ATOM      3  C   LIG    1       -0.507   0.408   2.200  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.701   0.865   3.487  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.010   1.369   3.540  0.00  0.00    +0.036 A 
ATOM      6 BR   LIG    1       -2.794   2.119   5.065  0.00  0.00    -0.049 Br
ATOM      7  C   LIG    1        0.592  -0.196   1.537  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.470  -0.549   0.242  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -2.591   1.218   2.308  0.00  0.00    +0.108 A 
ATOM     10  C   LIG    1       -0.772  -0.354  -0.520  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.784  -0.858  -1.938  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.698  -1.128  -0.366  0.00  0.00    +0.245 C 
ATOM     13  N   LIG    1        2.363  -0.240  -1.171  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.043   0.722  -1.220  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        2.065  -2.270  -0.123  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.663  -0.526  -1.733  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.725   0.001  -0.815  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.893   1.492  -0.850  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1        4.189   2.209  -1.556  0.00  0.00    -0.268 OA
ATOM     20  N   LIG    1        5.869   2.023  -0.046  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        5.962   3.031  -0.084  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        6.683   1.286   0.777  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        7.690   2.035   1.591  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.537  -0.047   0.811  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.536  -0.719  -0.006  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        5.502  -2.214   0.159  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   8  12
BRANCH   1  27
ATOM     27  N   LIG    1       -3.079   0.478  -0.501  0.00  0.00    -0.313 N 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.116  -0.576  -0.714  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1       -3.744  -1.944  -0.125  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1       -4.825  -2.985  -0.429  0.00  0.00    +0.082 C 
ATOM     31  N   LIG    1       -6.188  -2.450  -0.449  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1       -6.844  -3.177  -0.162  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.321  -1.280   0.405  0.00  0.00    +0.082 C 
ATOM     34  C   LIG    1       -5.477  -0.126  -0.137  0.00  0.00    +0.037 C 
ENDBRANCH  27  28
BRANCH  27  36
ATOM     35  C   LIG    1       -2.953   1.845  -2.578  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1       -3.336   1.802  -1.108  0.00  0.00    +0.103 C 
ENDBRANCH  27  36
ENDBRANCH   1  27
TORSDOF 6