REMARK  Name = BDB012703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.520   0.029   1.060  0.00  0.00    -0.259 N 
ATOM      2  C   LIG    1        1.563   1.387   0.873  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.333   1.703   0.297  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.054   3.047  -0.021  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.023   4.012   0.248  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        2.245   3.682   0.819  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        0.766   5.293  -0.053  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.364   0.460   0.182  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.543   2.356   1.145  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        0.380  -0.549   0.636  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.608   0.386  -0.350  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.016   1.249  -0.716  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.513  -0.689  -0.501  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -3.724  -0.548  -1.212  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.590  -1.641  -1.366  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -4.237  -2.851  -0.807  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.099  -3.037  -0.119  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.273  -1.965   0.013  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.184   0.717  -1.845  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.188   0.844  -2.523  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.396   1.784  -1.602  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -3.861   2.504  -2.084  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.563  -0.826   1.611  0.00  0.00    +0.175 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.439  -2.393   1.015  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1        3.149  -1.744   0.535  0.00  0.00    +0.133 C 
BRANCH  25  26
ATOM     26  O   LIG    1        2.236  -2.798   0.216  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        1.362  -2.379   0.060  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 7