REMARK  Name = BDB044613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.876  -3.159  -0.262  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.153  -2.731   0.173  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        3.222  -3.641   0.239  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1        3.035  -4.959  -0.166  0.00  0.00    +0.042 A 
ATOM      5 CL   LIG    1        4.349  -6.066  -0.093  0.00  0.00    -0.084 Cl
ATOM      6  C   LIG    1        1.794  -5.385  -0.624  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        0.720  -4.491  -0.666  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -1.487  -2.421  -0.729  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -0.203  -2.240  -0.254  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        0.022  -1.331   0.152  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.895  -3.391  -1.358  0.00  0.00    -0.270 OA
BRANCH   8  15
ATOM     12  C   LIG    1       -4.274   0.834  -0.079  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -3.223   0.593   0.828  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.313  -0.454   0.639  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -2.426  -1.288  -0.476  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -3.472  -1.076  -1.378  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -4.380  -0.027  -1.184  0.00  0.00    +0.005 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.476   3.330   0.208  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -5.253   1.997   0.165  0.00  0.00    -0.013 C 
ATOM     20  C   LIG    1       -6.340   2.138  -0.925  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -5.979   1.788   1.511  0.00  0.00    +0.015 C 
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  C   LIG    1        2.379  -1.309   0.583  0.00  0.00    +0.250 C 
ATOM     23  N   LIG    1        3.614  -0.784   0.244  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        4.209  -1.347  -0.351  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        1.456  -0.709   1.126  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.106   0.506   0.542  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.349   0.856  -0.001  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        5.911   2.116   0.252  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1        5.227   3.031   1.057  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        3.993   2.686   1.605  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        3.437   1.429   1.349  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  C   LIG    1        7.222   2.518  -0.310  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        7.774   3.589  -0.140  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        7.785   1.555  -1.062  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        8.628   1.957  -1.360  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH   2  22
TORSDOF 7