REMARK  Name = BDB034276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.138  -0.057   1.008  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -3.776  -1.412   0.947  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.455  -1.841   1.007  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -1.424  -0.885   1.157  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.078  -1.356   1.240  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.141  -2.724   1.077  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -0.943  -3.570   0.929  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.790   0.481   1.211  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -2.223  -3.157   0.911  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1       -3.124   0.888   1.145  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        0.979  -0.436   1.377  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.713   0.319   2.006  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.360  -0.859   1.594  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.073  -1.100   0.261  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.544  -1.451   0.494  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.258  -1.858  -0.719  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1        6.211  -2.123  -0.460  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1        5.376  -0.810  -1.740  0.00  0.00    +0.155 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.212   0.341  -1.302  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1        7.505   0.066  -0.959  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1        8.076   1.243  -0.595  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        7.169   2.271  -0.697  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.963   1.690  -1.154  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  C   LIG    1       -5.597   0.345   0.949  0.00  0.00    +0.073 C 
BRANCH  24  27
ATOM     25 CL   LIG    1       -5.982   3.416   1.498  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -6.133   2.641  -0.043  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.958   1.252  -0.213  0.00  0.00    -0.006 A 
ATOM     28  C   LIG    1       -6.119   0.736  -1.515  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1       -5.968  -0.952  -1.866  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -6.431   1.571  -2.595  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -6.592   2.939  -2.403  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -6.445   3.471  -1.127  0.00  0.00    +0.020 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 9