REMARK  Name = BDB013165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.818   0.510  -0.152  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.251   0.301   1.132  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.931  -0.077   1.177  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.629  -0.182   2.504  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.692   0.091   3.227  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.141  -0.268   0.034  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.668  -0.052  -1.143  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.718   0.397   2.360  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.991   0.340  -1.205  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.892  -1.303  -1.409  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        5.175   0.108  -0.987  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1        4.210   0.942  -0.395  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1        4.577   2.237  -0.010  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.870   2.664  -0.255  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        6.807   1.902  -0.852  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        6.442   0.648  -1.197  0.00  0.00    +0.114 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.170  -0.668   0.186  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.409  -1.176   1.031  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.960  -1.087  -0.960  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.398  -1.219  -0.551  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.204  -0.113  -0.299  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.875   1.333  -0.319  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.289   1.909  -0.244  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.171   0.921   0.337  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.522  -0.265   0.112  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.098  -1.506   0.293  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.312  -2.630   0.041  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.982  -2.480  -0.374  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.252  -3.584  -0.587  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4