REMARK  Name = BDB017571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.672   0.841   2.401  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.950   0.101   1.304  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.465  -0.098   0.000  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.736  -0.950  -0.859  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.271  -1.334  -2.093  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.781  -1.993  -2.682  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.508  -0.970  -2.531  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.238   0.025  -1.710  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.530   0.544  -2.285  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.334   1.366  -1.276  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.417   2.314  -0.517  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.341   1.553   0.109  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.658   2.158   0.557  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -4.966  -1.413  -3.581  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.493  -1.485  -0.503  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.944  -1.211   0.748  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.729   0.486  -0.548  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.685  -0.432   1.643  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.402  -1.777   1.150  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.387  -0.740   1.491  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.611  -1.326   2.078  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.797  -1.524   1.105  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.164  -0.258   0.445  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        3.109   0.768   0.377  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        1.712   0.107   0.320  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.456  -0.014   0.015  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        6.356  -1.059  -0.248  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        7.659  -0.812  -0.688  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1        8.463  -1.859  -0.924  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        8.115   0.483  -0.881  0.00  0.00    +0.087 A 
ATOM     31  C   LIG    1        7.247   1.544  -0.631  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        5.939   1.290  -0.191  0.00  0.00    +0.024 A 
BRANCH  30  33
ATOM     33  C   LIG    1        9.451   0.725  -1.329  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1       10.529   0.956  -1.692  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4