REMARK  Name = BDB034174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.413  -1.487  -0.841  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.652  -1.963  -1.744  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.968  -1.168  -1.644  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.335  -0.869  -0.213  0.00  0.00    -0.039 C 
ATOM      5  C   LIG    1        1.455  -1.058   0.785  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        0.051  -1.552   0.557  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.696  -0.391   0.065  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.827  -1.215   0.099  0.00  0.00    +0.137 A 
ATOM      9 CL   LIG    1        4.746  -2.917  -0.159  0.00  0.00    -0.061 Cl
ATOM     10  N   LIG    1        6.086  -0.791   0.351  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        6.229   0.539   0.592  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.177   1.446   0.593  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.895   0.969   0.327  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.623   1.013   0.874  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.582   0.025   0.815  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.244  -0.925   0.682  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.954   0.261   1.175  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.854   2.187   1.140  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.887  -0.145  -1.217  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.944   0.705   0.771  0.00  0.00    +0.260 C 
ATOM     21  C   LIG    1       -6.841  -0.768   0.337  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -7.790  -1.548   0.358  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -5.625  -1.145  -0.161  0.00  0.00    -0.278 N 
ATOM     24  H   LIG    1       -5.541  -2.085  -0.526  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.529  -0.284  -0.115  0.00  0.00    +0.096 A 
ATOM     26  C   LIG    1       -4.615   0.953   0.520  0.00  0.00    +0.237 A 
ATOM     27  N   LIG    1       -3.578   1.810   0.612  0.00  0.00    -0.219 NA
ATOM     28  C   LIG    1       -2.412   1.421   0.047  0.00  0.00    +0.119 A 
ATOM     29  C   LIG    1       -2.220   0.202  -0.600  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.318  -0.663  -0.682  0.00  0.00    +0.035 A 
ATOM     31  O   LIG    1       -5.750   1.380   1.153  0.00  0.00    -0.462 OA
BRANCH  20  33
ATOM     32  C   LIG    1       -8.003   2.917   0.092  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -7.649   1.500  -0.340  0.00  0.00    +0.051 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5