REMARK  Name = BDB020697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.226   0.789  -0.010  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.166   0.871  -0.474  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.339   0.945  -1.973  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.174   0.864   0.450  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1       -1.811   0.723   1.822  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -0.481   0.650   2.261  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.450   0.543   3.635  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.783   0.513   4.058  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1       -2.325   0.346   5.841  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1       -2.594   0.607   2.957  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1        0.550   0.699   1.291  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        1.817  -0.467  -1.262  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.297  -1.261  -0.912  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.384   0.798  -0.946  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        1.862   1.840  -1.371  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        2.898  -0.698  -2.200  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1        8.202   0.508  -0.125  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1        6.833   0.112  -0.580  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1        6.447   0.519  -1.831  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        7.083   1.046  -2.416  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.231   0.239  -2.402  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        4.992   0.568  -3.560  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        4.245  -0.517  -1.555  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.656  -0.959  -0.342  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        3.849  -1.825   0.584  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.981  -0.615   0.156  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1       -3.644   1.047   0.031  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -4.479   2.041   0.862  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -4.285  -0.232  -0.309  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -4.585  -1.145   0.787  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1       -5.438  -2.215   0.117  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -6.042  -1.538  -1.109  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -5.533  -0.106  -1.060  0.00  0.00    +0.085 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5