REMARK  Name = BDB020512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.422  -0.204   1.380  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        0.884   0.129   0.930  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.996  -0.252   1.710  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.290   0.058   1.267  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.469   0.735   0.063  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        2.425   1.112  -0.705  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        1.795  -0.937   2.919  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.510  -1.245   3.364  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.178   0.815  -0.259  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -0.593  -0.879   2.599  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.260  -0.596  -2.791  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.557  -0.473  -1.301  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.418   0.057  -0.576  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.506  -0.739   0.063  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.600   0.144   0.610  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.940   1.439   0.299  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.638  -2.204   0.011  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -4.054  -2.552   0.008  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -4.392  -3.902   0.422  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -3.052   1.359  -0.399  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.982  -1.837  -0.748  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.107  -2.277  -0.999  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.799   2.604  -0.954  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -5.086   3.036  -0.300  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.842   3.854  -0.114  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.843   1.094  -0.459  0.00  0.00    +0.042 C 
ATOM     27  C   LIG    1        5.593   2.053   0.475  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1        6.983   2.340  -0.074  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1        7.705   1.124  -0.270  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        7.081   0.275  -1.233  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        5.697  -0.145  -0.758  0.00  0.00    +0.038 C 
ENDBRANCH   5  26
TORSDOF 3