REMARK  Name = BDB036208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.584  -0.072  -1.448  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.546  -0.366  -0.436  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.219   0.907  -0.005  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.779   1.719  -1.112  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.321   2.033  -2.053  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.157   0.824  -2.539  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.440   0.140   0.112  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        4.884  -1.087  -0.072  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.630  -1.123  -0.600  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.077  -2.501  -0.838  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        2.883   0.029  -0.941  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.517   1.261  -0.738  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.804   1.327  -0.207  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.684  -1.284   1.425  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.329  -1.084   0.991  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.756  -1.874   0.704  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.824   0.163   0.688  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.434   1.213   0.854  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.891   1.048  -1.805  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.135   0.940  -0.955  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.709  -0.304  -0.683  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.143  -1.422  -1.167  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.864  -0.408   0.093  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -5.477   0.736   0.615  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -6.637   0.672   1.406  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1       -7.159  -0.501   1.645  0.00  0.00    +0.171 A 
ATOM     27  C   LIG    1       -6.572  -1.790   1.103  0.00  0.00    +0.276 A 
ATOM     28  O   LIG    1       -7.119  -2.861   1.319  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -4.910   1.983   0.346  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.430  -1.662   0.355  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -5.006  -2.500  -0.025  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.752   2.087  -0.432  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.375  -0.689   2.511  0.00  0.00    +0.395 C 
ATOM     34  F   LIG    1       -8.039  -1.106   3.765  0.00  0.00    -0.202 F 
ATOM     35  F   LIG    1       -9.082   0.466   2.683  0.00  0.00    -0.202 F 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5