REMARK  Name = BDB063018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.572  -0.518  -0.047  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1        2.579  -0.374  -1.047  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        3.753  -0.017  -0.503  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1        3.550   0.012   0.830  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1        2.241  -0.270   1.140  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.480  -0.508  -2.500  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.924   0.535  -3.326  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.850   0.421  -4.716  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.339  -0.741  -5.293  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        1.909  -1.789  -4.481  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.984  -1.676  -3.090  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1        4.616   0.321   1.723  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        5.892   0.593   1.203  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        6.953   0.899   2.058  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.750   0.936   3.435  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.488   0.666   3.961  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.420   0.359   3.111  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  20
ATOM     18  N   LIG    1       -0.641  -0.419   0.843  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -0.241   0.169   1.559  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.160  -0.845  -0.197  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1       -0.292  -1.438  -1.169  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -2.085  -0.594   0.831  0.00  0.00    +0.126 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.542   1.889   1.186  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -2.894   0.649   0.325  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -2.476   1.003  -1.125  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -4.370   0.445   0.391  0.00  0.00    -0.291 NA
ATOM     27  C   LIG    1       -4.938  -0.432  -0.656  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -6.396  -0.814  -0.351  0.00  0.00    +0.175 C 
ATOM     29  O   LIG    1       -6.534  -1.580   0.852  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -5.506  -1.310   1.809  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1       -4.940   0.117   1.714  0.00  0.00    +0.113 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 6