REMARK  Name = BDB018791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.961   0.413   0.045  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        1.685  -0.140   0.017  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.306  -1.503  -0.467  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -0.185  -1.560  -0.124  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -0.601  -0.211   0.301  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -1.891   0.188   0.627  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1       -2.179   1.317   1.033  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        0.560   0.580   0.428  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        0.686   1.881   0.880  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.960   2.453   0.915  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        3.089   1.726   0.501  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.999  -0.857   0.390  0.00  0.00    +0.170 C 
ATOM     13  N   LIG    1       -4.231  -0.612   1.202  0.00  0.00    -0.258 N 
ATOM     14  C   LIG    1       -5.258   0.032   0.343  0.00  0.00    +0.117 C 
ATOM     15  C   LIG    1       -4.577   0.274  -0.997  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -3.499  -0.794  -1.053  0.00  0.00    +0.034 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.257  -0.608   2.541  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -4.282  -0.641   3.697  0.00  0.00    -0.174 NA
ENDBRANCH  13  17
ENDBRANCH   6  12
BRANCH   1  19
ATOM     19  O   LIG    1        3.966  -0.396  -0.398  0.00  0.00    -0.492 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.745   0.825  -1.504  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        5.315   0.049  -0.271  0.00  0.00    +0.225 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 4