REMARK  Name = BDB062268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.001   0.196   0.777  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.805   0.247  -0.352  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -2.361   0.379  -1.772  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -3.252  -0.418  -2.718  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -4.549   0.194  -2.933  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.857   0.309  -3.892  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -5.584   0.352  -2.049  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -5.422   0.161  -0.587  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -6.594   0.036   0.185  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -6.523  -0.102   1.562  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -7.656  -0.222   2.268  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.306  -0.112   2.236  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -4.147   0.021   1.465  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -6.686   0.662  -2.501  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.170   0.150   0.073  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -2.832   0.060   1.860  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -2.515  -0.015   2.817  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        2.246   0.348   1.235  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        1.631  -0.762   0.637  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        0.243  -0.810   0.483  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -0.553   0.247   0.931  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1        0.053   1.351   1.540  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        1.441   1.401   1.693  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.751   0.391   1.419  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.502   0.103   0.178  0.00  0.00    -0.299 NA
BRANCH  25  27
ATOM     26  C   LIG    1        4.726   0.839  -2.194  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        4.396   1.240  -0.759  0.00  0.00    +0.081 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1        5.914  -0.199   0.482  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        6.096  -1.596   1.069  0.00  0.00    +0.020 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 5