REMARK  Name = BDB001522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872  -4.995  -0.299  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.566  -3.529  -0.190  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.735  -3.046  -0.151  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.930  -3.950  -0.201  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1        0.859  -1.665  -0.015  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.215  -0.859   0.030  0.00  0.00    -0.199 NA
ATOM      7  C   LIG    1       -1.433  -1.399  -0.036  0.00  0.00    +0.221 A 
ATOM      8  N   LIG    1       -1.641  -2.717  -0.142  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1        2.157  -1.101   0.091  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1        2.655  -1.555   0.848  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.534   0.256  -0.040  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.709   0.702   0.587  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.154   2.020   0.440  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.433   2.898  -0.360  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        2.288   2.473  -1.019  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        1.851   1.154  -0.869  0.00  0.00    +0.027 A 
BRANCH  14  17
ATOM     17  O   LIG    1        3.826   4.191  -0.533  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        4.621   4.347   0.002  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   7  19
ATOM     19  N   LIG    1       -2.589  -0.624  -0.012  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -3.389  -1.233  -0.090  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.839   0.738   0.187  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -1.851   1.675   0.508  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -2.159   3.031   0.663  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -3.465   3.465   0.492  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1       -4.469   2.564   0.166  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.152   1.210   0.012  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -3.723   4.794   0.651  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -4.668   4.947   0.488  0.00  0.00    +0.292 HD
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6