REMARK  Name = BDB018845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.746  -0.506  -1.697  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -0.752  -0.006  -0.320  0.00  0.00    -0.256 N 
ATOM      3  C   LIG    1       -1.943   0.236   0.378  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -2.004   0.812   1.470  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.491   0.148   0.329  0.00  0.00    +0.150 A 
ATOM      6  N   LIG    1        1.636  -0.118  -0.314  0.00  0.00    -0.151 NA
ATOM      7  N   LIG    1        2.633   0.115   0.575  0.00  0.00    -0.238 N 
ATOM      8  C   LIG    1        2.133   0.520   1.786  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1        0.765   0.548   1.658  0.00  0.00    +0.065 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.997  -0.069   0.206  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        4.309  -0.495  -1.095  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        5.639  -0.680  -1.476  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        6.666  -0.443  -0.565  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.365  -0.019   0.728  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.035   0.169   1.118  0.00  0.00    +0.028 A 
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -3.256  -0.219  -0.290  0.00  0.00    +0.170 C 
ATOM     17  N   LIG    1       -4.287  -0.678   0.707  0.00  0.00    -0.258 N 
ATOM     18  C   LIG    1       -5.428   0.262   0.671  0.00  0.00    +0.117 C 
ATOM     19  C   LIG    1       -5.395   0.804  -0.746  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -3.910   0.966  -1.014  0.00  0.00    +0.034 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.044  -1.538   1.704  0.00  0.00    +0.170 C 
ATOM     22  N   LIG    1       -3.840  -2.306   2.546  0.00  0.00    -0.174 NA
ENDBRANCH  17  21
ENDBRANCH   3  16
TORSDOF 4