REMARK  Name = BDB020943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.827  -1.571   1.790  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -1.178  -0.595   0.661  0.00  0.00    +0.090 C 
ATOM      3  N   LIG    1       -1.020   0.814   1.085  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        0.152   1.555   1.008  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1        0.186   2.749   1.311  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -2.252   1.527   1.461  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -3.351   0.597   1.986  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1       -3.686  -0.484   1.030  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -2.598  -0.868   0.097  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.886  -0.265   0.323  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -5.400   0.981   0.229  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -6.551   1.153  -0.467  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -7.237   0.127  -1.094  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -6.708  -1.155  -0.997  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.524  -1.350  -0.283  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.445   0.386  -1.809  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -9.425   0.596  -2.393  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.393   0.852   0.488  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.640   1.720   0.636  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.801   1.051  -0.050  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.030   1.426  -1.346  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        3.473   2.145  -1.788  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        5.033   0.896  -2.117  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        5.223   1.248  -3.274  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.864  -0.127  -1.462  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        5.553  -0.456  -0.137  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        6.324  -1.424   0.511  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        7.383  -2.046  -0.155  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        7.669  -1.698  -1.473  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        8.684  -2.299  -2.105  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.918  -0.741  -2.140  0.00  0.00    +0.053 A 
ATOM     32  N   LIG    1        4.495   0.147   0.562  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5