REMARK  Name = BDB040553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494  -0.545   1.408  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.570  -1.421   1.251  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.796  -0.971   0.739  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -4.051  -2.163   0.647  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.983   0.373   0.346  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.890   1.247   0.530  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -1.976   2.937   0.162  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.669   0.793   1.046  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.298   0.883  -0.241  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.798   0.062  -1.427  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.050  -0.447  -2.259  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.162  -0.022  -1.580  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.483  -0.557  -2.376  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.130   0.676  -0.903  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.307   0.622  -1.246  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.657   1.570   0.216  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.374   1.042   0.839  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.836  -1.033   1.920  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.695  -0.280   0.477  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.756  -1.236   0.823  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.516  -1.957   0.157  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.835   0.737   1.155  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.498  -0.567  -0.820  0.00  0.00    +0.087 C 
ATOM     24  C   LIG    1        4.047  -2.010  -0.815  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        2.500  -0.431  -1.996  0.00  0.00    +0.027 C 
BRANCH  23  28
ATOM     26  C   LIG    1        5.862   0.344   1.399  0.00  0.00    +0.049 C 
ATOM     27  C   LIG    1        5.684   0.758  -0.011  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.671   0.398  -0.959  0.00  0.00    +0.101 A 
ATOM     29  N   LIG    1        4.909   0.992  -2.141  0.00  0.00    -0.082 NA
ATOM     30  O   LIG    1        6.031   1.769  -1.971  0.00  0.00    -0.362 OA
ATOM     31  C   LIG    1        6.487   1.630  -0.708  0.00  0.00    +0.233 A 
ENDBRANCH  23  28
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5