REMARK  Name = BDB007854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.527   0.617  -1.617  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.743   0.900  -0.555  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.566   0.225  -0.436  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.305   0.542   0.737  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -1.715   0.355   0.425  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -2.093  -0.830  -0.223  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.119  -1.412  -1.065  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.220  -1.300  -0.053  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1        0.140  -0.774  -1.302  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.968  -1.029  -2.399  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.170  -0.332  -2.560  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.412  -2.638  -1.753  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -0.471  -3.681  -1.800  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -0.769  -4.875  -2.461  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1        0.409  -6.132  -2.530  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -2.010  -5.061  -3.068  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.956  -4.046  -3.016  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -2.659  -2.846  -2.360  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.700   1.351  -2.613  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.700   1.361  -1.665  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.858   1.950  -0.855  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        4.711   0.686  -3.643  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.819   2.367  -2.267  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        7.054   2.170  -3.138  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        6.753   1.175  -0.328  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        6.099   2.391  -0.804  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        6.718   3.180  -0.609  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -2.723   1.048   1.258  0.00  0.00    +0.075 C 
ATOM     29  C   LIG    1       -2.587   2.571   1.107  0.00  0.00    +0.028 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -2.648   0.585   2.733  0.00  0.00    +0.028 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.985   0.472   3.522  0.00  0.00    -0.036 C 
ATOM     32  C   LIG    1       -3.644   0.145   4.991  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -4.849  -0.675   2.967  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -4.802   1.773   3.493  0.00  0.00    +0.010 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 7