REMARK  Name = BDB008597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.039  -0.728  -1.304  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.702  -0.947  -0.127  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.789  -1.489   0.779  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.272  -1.795   2.065  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.610  -1.529   2.330  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1        3.411  -0.986   1.340  0.00  0.00    +0.151 A 
ATOM      7  F   LIG    1        3.119  -1.799   3.538  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1       -0.483  -1.581   0.111  0.00  0.00    -0.000 A 
ATOM      9  N   LIG    1        3.008  -0.675   0.085  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1       -0.272  -1.110  -1.179  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.765  -2.150   0.671  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.980  -2.075  -0.261  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.097  -1.645   2.032  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.616  -0.354   2.253  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.493  -0.129   3.095  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.035   0.818   1.432  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -0.689   1.072   1.865  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -0.114   2.174   1.156  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -0.947   3.451   1.333  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -2.346   3.264   0.906  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.359   3.063  -0.093  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.892   2.091   1.632  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.283  -2.719   3.010  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.765  -2.577   4.426  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.654  -3.208   3.390  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        1.649  -0.194  -2.510  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.638   1.333  -2.526  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.258   1.921  -3.793  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.766   1.695  -3.891  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1        4.172   1.745  -6.235  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        4.318   2.416  -4.992  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9