REMARK  Name = BDB036210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.160   0.289  -0.625  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.091   1.033   0.061  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.234   0.235   0.024  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.737  -0.052  -1.337  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.375  -0.159  -2.307  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.738  -0.601  -1.722  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.194   0.729   0.343  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -5.832  -0.380  -0.346  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -4.513  -0.487  -0.639  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -4.175  -1.614  -1.292  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.501   0.439  -0.299  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -3.957   1.560   0.412  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.306   1.714   0.739  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.857  -0.204   0.365  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.424  -0.203   0.253  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.952  -0.909  -0.306  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.651   0.860   0.671  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.088   1.845   1.253  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.601  -1.241  -1.372  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.892  -1.059  -0.611  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.944  -0.324  -1.167  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        3.821   0.197  -2.398  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        5.135  -0.130  -0.466  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1        5.302  -0.674   0.816  0.00  0.00    +0.094 A 
ATOM     25  N   LIG    1        6.484  -0.507   1.562  0.00  0.00    -0.207 NA
ATOM     26  C   LIG    1        7.439   0.183   1.017  0.00  0.00    +0.282 A 
ATOM     27  C   LIG    1        7.361   0.824  -0.382  0.00  0.00    +0.311 A 
ATOM     28  O   LIG    1        8.282   1.468  -0.861  0.00  0.00    -0.262 OA
ATOM     29  C   LIG    1        4.256  -1.412   1.373  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1        6.175   0.611  -1.042  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1        6.064   1.012  -1.965  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1        3.062  -1.605   0.670  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  O   LIG    1        8.624   0.426   1.611  0.00  0.00    -0.476 OA
ATOM     34  C   LIG    1        8.799  -0.127   2.917  0.00  0.00    +0.279 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5