REMARK  Name = BDB057074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.002   0.529   0.629  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.878  -0.499   0.260  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.206  -0.128   0.291  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.367   0.862   0.180  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.480  -1.611  -0.075  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        4.081  -0.524   0.167  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        3.422  -0.056  -1.059  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.891  -0.012  -0.954  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.458   0.325   0.479  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        2.029  -0.681   1.493  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.245  -1.435   0.945  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.447  -1.009  -0.061  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.037  -2.752  -0.950  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        5.576  -2.379  -0.742  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -3.335  -0.955   0.132  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -4.570  -0.322  -0.060  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -5.753  -1.068  -0.205  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -5.682  -2.467  -0.166  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -4.457  -3.101   0.035  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.290  -2.348   0.187  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -7.068  -0.369  -0.437  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -7.279  -0.081  -1.751  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -8.146  -1.100  -0.036  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -7.161   0.819   0.225  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -0.409   1.582   1.568  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.061   2.773   0.900  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.186   3.371   1.490  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.801   4.472   0.892  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.293   4.995  -0.295  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.167   4.422  -0.881  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.550   3.321  -0.285  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7