REMARK  Name = BDB064213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.062  -0.305  -0.842  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.040  -0.291  -2.231  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.863  -0.919  -2.998  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.085   0.384  -2.854  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.054   1.029  -2.083  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.998   0.990  -0.680  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.922   0.326  -0.068  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.531   0.416   0.801  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1        3.937   1.098  -0.262  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        4.227   2.264  -0.538  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.991   0.301  -1.187  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        2.456  -0.922  -0.583  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        1.139  -1.042  -0.149  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.815  -1.748   0.806  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        3.470  -1.718   0.090  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        4.059  -0.902   1.236  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.428   1.144   1.694  0.00  0.00    +0.107 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.550  -0.104   1.048  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        6.853   1.245   1.147  0.00  0.00    +0.016 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1       -3.054   1.675   0.167  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.422   1.258  -0.148  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1       -4.945   0.013   0.319  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -6.250  -0.361  -0.026  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -6.806  -1.575   0.401  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.054  -2.441   1.189  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.756  -2.089   1.546  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.058   0.545  -0.856  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -8.199   0.265  -1.203  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1       -6.459   1.717  -1.219  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1       -6.999   2.342  -1.798  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1       -4.207  -0.873   1.117  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -5.184   2.112  -0.933  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1       -4.774   3.180  -1.385  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5