REMARK  Name = BDB056598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.875   0.132   0.148  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.878  -1.056  -0.497  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.289  -1.662  -0.834  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        1.514  -1.074  -0.511  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.501   0.144   0.164  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        2.811   0.507   0.374  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        3.109   1.347   0.848  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        3.653  -0.436  -0.152  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        2.878  -1.430  -0.707  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.309   0.778   0.513  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.194  -0.373  -0.113  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        5.949   0.628   0.449  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        7.251   0.264   0.249  0.00  0.00    -0.274 N 
ATOM     14  C   LIG    1        8.429   0.990   0.659  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        7.390  -0.904  -0.406  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.130  -1.292  -0.625  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.087   0.765   0.509  0.00  0.00    -0.297 N 
ATOM     18  H   LIG    1       -2.071   1.745   0.235  0.00  0.00    +0.154 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.462   1.199   0.168  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1       -3.411   0.275   0.372  0.00  0.00    +0.075 A 
ATOM     21  C   LIG    1       -3.723  -1.082   0.528  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -5.046  -1.541   0.444  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -6.068  -0.614   0.205  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -5.781   0.748   0.075  0.00  0.00    +0.048 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.348  -3.012   0.576  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -5.211  -3.681  -0.602  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -6.624  -3.257   0.992  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.543  -3.652   1.469  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
BRANCH  19  30
ATOM     29  C   LIG    1       -5.091   3.480  -0.134  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.066   2.513   0.059  0.00  0.00    -0.493 OA
ENDBRANCH  19  30
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5