REMARK  Name = BDB017981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.814  -0.770  -0.497  0.00  0.00    -0.281 NA
ATOM      2  C   LIG    1       -0.137   0.072   0.258  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1        0.236   0.291   1.705  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.308   1.662   1.962  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.621   2.171   3.204  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        0.869   1.250   4.221  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.803  -0.135   3.985  0.00  0.00    +0.020 A 
ATOM      8 CL   LIG    1        1.268   1.819   5.797  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1        0.034   2.385   0.809  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        0.038   3.390   0.728  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.485  -0.625   2.715  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.223   1.545  -0.272  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -0.478   1.921  -1.407  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -1.461  -0.701   0.049  0.00  0.00    +0.069 C 
ATOM     15  C   LIG    1       -1.366  -1.171  -1.420  0.00  0.00    +0.102 C 
ATOM     16  C   LIG    1       -2.093  -2.488  -1.641  0.00  0.00    +0.218 C 
ATOM     17  O   LIG    1       -3.126  -2.795  -1.053  0.00  0.00    -0.275 OA
ATOM     18  N   LIG    1       -1.595  -3.311  -2.610  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1       -2.111  -4.171  -2.759  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -0.324  -3.097  -3.251  0.00  0.00    +0.106 C 
ATOM     21  C   LIG    1        0.664  -2.538  -2.245  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        0.147  -1.193  -1.734  0.00  0.00    +0.072 C 
ENDROOT
BRANCH  14  23
ATOM     23  C   LIG    1       -2.733   0.023   0.468  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -3.259  -0.211   1.750  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1       -2.632  -1.071   2.569  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -4.413   0.437   2.193  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1       -5.033   0.145   3.773  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -5.069   1.338   1.358  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.564   1.587   0.084  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.406   0.937  -0.357  0.00  0.00    +0.007 A 
ENDBRANCH  14  23
BRANCH   1  31
ATOM     31  C   LIG    1        2.219  -0.396  -0.570  0.00  0.00    +0.089 C 
BRANCH  31  34
ATOM     32  C   LIG    1        5.136   0.607  -0.839  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1        3.995   1.296  -1.508  0.00  0.00    -0.009 C 
ATOM     34  C   LIG    1        2.558   0.825  -1.371  0.00  0.00    +0.006 C 
ATOM     35  C   LIG    1        3.017   2.099  -0.697  0.00  0.00    +0.008 C 
ENDBRANCH  31  34
ENDBRANCH   1  31
TORSDOF 3