REMARK  Name = BDB021265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.333  -4.100  -0.118  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -1.343  -3.184   0.040  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -0.811  -2.012  -0.263  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.533  -2.144  -0.564  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        1.352  -1.050  -0.891  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.836   0.144  -0.969  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -0.508   0.283  -0.690  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.376  -0.694  -0.335  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.834  -3.485  -0.504  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.764  -0.420  -0.053  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.466   0.739  -0.318  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1       -4.742   0.537   0.135  0.00  0.00    -0.266 N 
ATOM     13  N   LIG    1       -4.924  -0.693   0.649  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -3.725  -1.270   0.538  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -5.875   1.429   0.049  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -6.657   1.552   1.351  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -7.315   2.834   1.337  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -6.849   3.564   0.197  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -5.575   2.886  -0.253  0.00  0.00    +0.057 C 
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1       -0.674  -6.640   0.269  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1       -0.544  -5.499   0.098  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1        2.695  -1.215  -1.146  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        3.058  -0.340  -1.523  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.587  -1.730  -0.111  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.840  -0.906  -0.029  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.853   0.385   0.492  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.742   1.229   0.997  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        4.556   2.337   1.666  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.869   2.382   1.063  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        6.027   1.127   0.535  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        7.228   0.636   0.065  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        7.242  -0.658  -0.454  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        6.061  -1.412  -0.495  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        6.114  -2.652  -1.004  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 6