REMARK  Name = BDB054157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.427  -0.339  -1.627  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.870   0.936  -1.490  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.442   1.102  -1.023  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1       -1.021   2.731  -0.923  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -1.242  -0.007  -0.673  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.676  -1.282  -0.839  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.633  -1.445  -1.306  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.686   0.174  -0.177  0.00  0.00    +0.042 C 
ATOM      9  C   LIG    1       -3.165  -0.859   0.894  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -3.901  -2.089   0.317  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -4.769  -1.805  -0.903  0.00  0.00    +0.081 C 
ATOM     12  N   LIG    1       -4.063  -1.027  -1.913  0.00  0.00    -0.315 NA
ATOM     13  H   LIG    1       -3.240  -1.533  -2.238  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -3.655   0.273  -1.377  0.00  0.00    +0.089 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.965  -0.193   2.010  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.229   0.361   1.825  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1       -5.954   0.959   2.799  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -5.394   1.022   4.024  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.144   0.513   4.321  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.424  -0.100   3.300  0.00  0.00    +0.007 A 
ENDBRANCH   9  15
ENDBRANCH   5   8
BRANCH   1  22
ATOM     21  C   LIG    1        3.900  -0.775  -1.276  0.00  0.00    -0.038 A 
ATOM     22  C   LIG    1        2.798  -0.520  -2.125  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        3.018  -0.448  -3.514  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.289  -0.630  -4.058  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.367  -0.892  -3.222  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.175  -0.965  -1.843  0.00  0.00    +0.004 A 
BRANCH  21  27
ATOM     27  C   LIG    1        3.776  -0.833   0.236  0.00  0.00    +0.054 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.425   0.358   0.951  0.00  0.00    +0.109 C 
BRANCH  28  31
ATOM     29  C   LIG    1        4.489   2.764   2.674  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        3.947   2.808   1.272  0.00  0.00    +0.210 C 
ATOM     31  N   LIG    1        3.809   1.627   0.603  0.00  0.00    -0.315 N 
ATOM     32  H   LIG    1        3.552   1.771  -0.368  0.00  0.00    +0.149 HD
ATOM     33  O   LIG    1        3.620   3.861   0.729  0.00  0.00    -0.276 OA
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 6