REMARK  Name = BDB021256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.806  -0.198   0.044  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.123  -0.875  -1.003  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.757  -1.023  -0.862  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.303  -1.671  -1.989  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.428  -1.901  -2.747  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.046  -0.553   0.263  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.693   0.063   1.216  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.552  -1.412  -2.129  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.057   0.216   1.086  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.031   2.552  -0.281  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.848   1.309  -0.063  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1        4.262   0.037   0.075  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.118  -1.052   0.250  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        6.467  -0.965   0.334  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        6.996   0.268   0.217  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        6.242   1.415   0.022  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.492  -2.550  -4.022  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.497  -3.082  -5.054  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.316  -0.757   0.317  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.691  -1.525  -0.229  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.059  -0.525   1.544  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.530  -0.584   1.253  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.192   0.428   0.563  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.664   1.673  -0.044  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.985   2.385  -0.337  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.042   1.400  -0.424  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.548   0.332   0.278  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.305  -0.758   0.655  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.666  -1.782   1.353  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.298  -1.689   1.643  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.713  -2.703   2.298  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5