REMARK  Name = BDB018253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.384  -0.065   1.437  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.013  -0.584   1.188  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.753  -1.874   1.483  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -1.692  -2.727   2.030  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.298  -4.092   2.339  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.967  -2.297   2.356  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -3.833  -2.990   2.884  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.279  -0.889   2.017  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.750   3.177  -0.817  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -4.200   1.923  -0.172  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -2.696   1.663  -0.333  0.00  0.00    +0.110 C 
ATOM     12  N   LIG    1       -2.676   1.255   1.062  0.00  0.00    -0.329 N 
ATOM     13  C   LIG    1       -3.890   1.993   1.329  0.00  0.00    +0.110 C 
ENDBRANCH   1  12
BRANCH   2  14
ATOM     14  C   LIG    1        0.043   0.254   0.687  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        0.934  -0.060  -0.316  0.00  0.00    +0.117 A 
ATOM     16  N   LIG    1        1.770   1.020  -0.436  0.00  0.00    -0.264 N 
ATOM     17  N   LIG    1        1.465   2.022   0.417  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        0.421   1.548   1.103  0.00  0.00    +0.143 A 
BRANCH  16  19
ATOM     19  C   LIG    1        2.880   1.187  -1.384  0.00  0.00    +0.134 C 
ATOM     20  C   LIG    1        2.338   1.464  -2.790  0.00  0.00    +0.038 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.871   0.035  -1.264  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        4.695  -0.031  -0.124  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        5.612  -1.070   0.040  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.721  -2.062  -0.930  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.911  -2.016  -2.062  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.992  -0.977  -2.229  0.00  0.00    +0.006 A 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4