REMARK  Name = BDB061187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.766  -0.336   0.018  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1        2.337  -1.319   0.972  0.00  0.00    +0.187 A 
ATOM      3  N   LIG    1        1.052  -1.793   0.871  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.930  -2.741   1.844  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.037  -2.804   2.548  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.143  -1.351  -0.090  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.525  -0.480  -0.982  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.923  -1.901   2.003  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.819  -0.001  -0.896  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        5.171  -0.537   0.679  0.00  0.00    +0.140 C 
ATOM     11  N   LIG    1        4.074   0.203   0.040  0.00  0.00    -0.253 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.343   1.504  -0.290  0.00  0.00    +0.294 A 
ATOM     13  O   LIG    1        5.638   1.949  -0.143  0.00  0.00    -0.433 OA
ATOM     14  C   LIG    1        5.606   3.253  -0.525  0.00  0.00    +0.218 A 
ATOM     15  C   LIG    1        4.320   3.554  -0.881  0.00  0.00    +0.154 A 
ATOM     16  N   LIG    1        3.528   2.447  -0.728  0.00  0.00    -0.204 NA
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  17
ATOM     17  N   LIG    1       -1.150  -1.823  -0.125  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.574  -1.511  -0.998  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.053  -1.552   0.993  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.387  -1.073   0.499  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.566   0.189  -0.064  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -2.580   1.259  -0.356  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -3.543   2.408  -0.657  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -4.818   1.858  -1.061  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.812   0.597  -0.525  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.925  -0.216  -0.458  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.772  -1.481   0.108  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.519  -1.895   0.579  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -4.412  -3.119   1.116  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5