REMARK  Name = BDB019583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.698  -1.621  -0.493  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.476  -1.436   0.253  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.850  -0.159   0.689  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.038   0.944   0.394  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.131   0.784  -0.361  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.490  -0.502  -0.794  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.745  -3.254   0.971  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.045  -3.746  -0.266  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -1.092  -2.960  -0.942  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.509  -3.513  -2.086  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -0.789  -4.739  -2.584  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -1.711  -5.459  -1.917  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -2.358  -5.014  -0.775  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.079   0.066   1.497  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        3.126  -0.802   1.271  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        3.099  -1.402   0.459  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.131   1.003   2.285  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.414  -0.604   1.898  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.354   0.123   0.970  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        5.292   1.522   0.856  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        6.140   2.206  -0.020  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        5.999   3.926  -0.099  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        7.060   1.493  -0.795  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        8.141   2.266  -1.899  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        7.123   0.100  -0.692  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.273  -0.582   0.182  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.022   1.966  -0.662  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.097   2.007   0.309  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -2.766   1.918   1.263  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.074   2.931   0.186  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -4.889   3.017   1.269  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -5.124   2.116   1.666  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -6.026   3.824   0.873  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -5.497   4.497  -0.397  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -4.322   3.694  -0.835  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7