REMARK  Name = BDB036217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.246  -0.893  -0.753  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.304   0.230  -0.625  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -1.005  -0.090  -1.390  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.652  -1.372  -1.017  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.644  -2.453  -1.140  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.686  -2.207  -0.383  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.246  -0.414   0.299  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        4.322  -0.088   1.234  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.006  -0.242   0.922  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        2.075   0.121   2.040  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        2.565  -0.701  -0.333  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.564  -1.038  -1.261  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.915  -0.897  -0.955  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     14  N   LIG    1        7.519   0.262  -0.299  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        7.103   0.661  -1.130  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.681  -0.232   0.693  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.070  -0.495   1.826  0.00  0.00    -0.269 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.040   1.958   0.621  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        8.901   0.587  -0.016  0.00  0.00    +0.101 C 
ENDBRANCH  14  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.248  -1.361   0.327  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.474  -0.485   0.425  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.690  -0.902  -0.127  0.00  0.00    +0.153 A 
ATOM     23  F   LIG    1       -4.780  -2.104  -0.719  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -5.825  -0.094  -0.059  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1       -5.771   1.155   0.570  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1       -6.891   2.001   0.663  0.00  0.00    -0.245 NA
ATOM     27  C   LIG    1       -8.011   1.592   0.138  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1       -8.164   0.245  -0.568  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1       -9.238  -0.091  -1.044  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -9.238   2.454   0.207  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1       -4.563   1.575   1.129  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1       -7.033  -0.527  -0.618  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1       -7.084  -1.426  -1.080  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.423   0.766   1.059  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5