REMARK  Name = BDB020717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.483  -1.973   0.742  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.176  -0.815   0.112  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        0.739   0.210  -0.513  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.538  -0.727   0.167  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1       -2.243  -1.736   0.886  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -1.611  -2.813   1.517  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.559  -3.605   2.131  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.800  -3.005   1.881  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1       -5.439  -3.664   2.500  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1       -3.598  -1.877   1.131  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -0.201  -2.911   1.421  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        2.368  -2.526  -0.617  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.705  -2.501  -1.383  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.950  -2.223   0.654  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        2.677  -2.171   1.637  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        3.764  -2.660  -0.963  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1        5.534   2.314  -3.406  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1        5.126   1.064  -2.691  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1        4.288   0.205  -3.357  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.967   0.431  -4.291  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        3.813  -0.973  -2.840  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        3.034  -1.678  -3.475  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        4.275  -1.339  -1.460  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        5.101  -0.488  -0.810  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        5.646  -0.686   0.578  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.529   0.748  -1.452  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1       -2.331   0.399  -0.518  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -3.063  -0.194  -1.743  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -3.210   1.154   0.405  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -4.097   2.107  -0.289  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -4.673   3.198   0.620  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -4.794   2.701   2.051  0.00  0.00    +0.117 C 
ATOM     33  C   LIG    1       -3.429   2.270   2.589  0.00  0.00    +0.047 C 
ATOM     34  C   LIG    1       -2.469   1.825   1.480  0.00  0.00    +0.087 C 
BRANCH  32  35
ATOM     35  O   LIG    1       -5.333   3.738   2.867  0.00  0.00    -0.392 OA
ATOM     36  H   LIG    1       -5.436   3.372   3.763  0.00  0.00    +0.210 HD
ENDBRANCH  32  35
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 6