REMARK  Name = BDB013953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962  -1.058  -1.034  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.466  -1.216   0.419  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.245  -1.055   1.366  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.891  -1.497   0.596  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.733  -2.019  -0.442  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.231  -2.914  -1.415  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.078  -3.383  -2.435  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.414  -2.998  -2.485  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.923  -2.150  -1.510  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.174  -3.457  -1.343  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.091  -1.671  -0.494  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.232  -2.414  -1.675  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.072   1.134  -1.020  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.180  -0.246  -1.012  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.936  -0.618  -0.448  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.013   1.720  -1.238  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.381   1.879  -0.672  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.340   2.211   0.819  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.632   3.902  -1.275  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        3.493   3.050  -1.560  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        2.622   3.584  -1.499  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.451  -1.305   1.940  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.982   0.085   2.214  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.203   0.235   2.883  0.00  0.00    +0.128 A 
ATOM     25  F   LIG    1       -3.908  -0.849   3.236  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -3.720   1.492   3.191  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -3.006   2.637   2.843  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -1.779   2.510   2.194  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -0.883   3.921   1.785  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -1.266   1.248   1.883  0.00  0.00    +0.028 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5