REMARK  Name = BDB017214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.405   2.910  -2.474  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        4.437   1.673  -1.750  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        3.325   1.024  -1.202  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        3.772  -0.140  -0.576  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        2.906  -1.002   0.063  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.539  -0.673   0.064  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.093   0.514  -0.569  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        5.161  -0.209  -0.738  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        6.004  -1.253  -0.232  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1        1.993   1.376  -1.212  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        5.597   0.918  -1.469  0.00  0.00    +0.330 A 
ATOM     12  O   LIG    1        6.743   1.186  -1.793  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.605  -1.615   0.762  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1        1.087  -2.476   1.497  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -0.901  -1.474   0.566  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.467  -0.560   1.659  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -2.904  -0.278   1.505  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.649  -1.376   0.865  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -3.032  -2.745   1.151  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.611  -2.841   0.590  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.148   1.013   0.852  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.582   1.426   1.000  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -5.112   2.590   0.199  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.585   1.196  -0.104  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 4