REMARK  Name = BDB036207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.519  -0.500  -0.442  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.471  -0.049   0.508  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.788  -0.943   0.392  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.329  -1.012  -0.984  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.251  -1.450  -1.903  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.001  -0.545  -1.829  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.262   1.248   0.241  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.680   1.488  -0.953  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.470   0.922  -1.161  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.921   1.185  -2.359  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        2.770   0.117  -0.237  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.436  -0.103   0.980  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.685   0.464   1.231  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.908   1.533   1.217  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.548   1.072   1.083  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.388   0.073   1.097  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.602   1.878   0.466  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        6.830   3.029   0.109  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.478  -1.924  -1.088  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.721  -1.388  -0.420  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.476  -0.382  -1.031  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -4.115   0.092  -2.234  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -5.617   0.133  -0.414  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -6.032  -0.352   0.834  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1       -7.177   0.139   1.490  0.00  0.00    -0.248 NA
ATOM     26  C   LIG    1       -7.852   1.074   0.893  0.00  0.00    +0.181 A 
ATOM     27  C   LIG    1       -7.486   1.662  -0.453  0.00  0.00    +0.267 A 
ATOM     28  O   LIG    1       -8.182   2.540  -0.937  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -5.284  -1.360   1.446  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -6.363   1.141  -1.039  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -6.073   1.504  -1.939  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -4.139  -1.875   0.828  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4