REMARK  Name = BDB062137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.194  -1.362  -0.569  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.167  -1.172  -0.780  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -0.580  -2.375  -1.319  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -1.898  -2.705  -1.806  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        0.495  -3.217  -1.357  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        1.584  -2.632  -0.918  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.029  -0.001  -0.594  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.031   0.058   0.418  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -2.851   1.216   0.516  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.849   1.255   1.522  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.039   0.200   2.414  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.233  -0.923   2.330  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.638   2.287  -0.389  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -1.638   2.214  -1.366  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.244  -0.990   1.348  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -0.843   1.079  -1.466  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.432   3.485  -0.343  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -4.074   4.451  -0.312  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        3.059  -0.166  -2.472  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        3.025   0.243  -1.021  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        2.137  -0.360  -0.097  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.190   0.003   1.268  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        1.303  -0.616   2.314  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.087   1.006   1.678  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.951   1.614   0.765  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        3.926   1.225  -0.576  0.00  0.00    +0.023 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.867   2.626   1.204  0.00  0.00    +0.099 C 
ATOM     28  N   LIG    1        5.606   3.448   1.558  0.00  0.00    -0.191 NA
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 4