REMARK  Name = BDB064494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509  -1.329  -1.588  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.477  -1.363  -0.990  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.241  -0.591  -1.349  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.272   0.770  -1.696  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.103   1.422  -2.125  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.105   2.839  -2.619  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.879   0.736  -2.067  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.815  -0.597  -1.645  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -2.004  -1.252  -1.300  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.470   1.438  -1.702  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.778   2.159  -0.495  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.097   1.581   0.054  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.093   3.607  -0.920  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.732   2.225   0.652  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -2.932   3.127   0.859  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.735   1.145   1.464  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -2.972   1.298   2.059  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.857  -1.789  -0.233  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        2.027  -2.695  -0.290  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        2.465  -3.185   1.111  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        2.764  -2.053   2.013  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        1.642  -1.090   2.066  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        1.177  -0.644   0.659  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.032  -1.479   1.847  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        4.146  -0.161   1.576  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        5.382   0.376   1.439  0.00  0.00    +0.125 A 
ATOM     27  C   LIG    1        6.559  -0.338   1.575  0.00  0.00    +0.073 A 
ATOM     28  C   LIG    1        6.443  -1.695   1.863  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.176  -2.262   2.008  0.00  0.00    +0.044 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.878   0.339   1.384  0.00  0.00    +0.419 C 
ATOM     31  F   LIG    1        8.903  -0.293   2.022  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.893   1.622   1.841  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.241   0.405   0.074  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8