REMARK  Name = BDB023876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.723  -5.114   0.241  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.368  -4.567   0.608  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.122  -3.227   0.334  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.753  -2.754   0.618  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.716  -1.268   0.664  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.673  -0.373   1.013  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.071   0.903   0.882  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.357   0.829   0.479  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.771  -0.456   0.307  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.092  -0.949  -0.151  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.942  -2.420  -0.597  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.530  -5.297   1.140  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.681  -0.694   1.454  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.825  -0.315   0.697  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.108  -0.664   1.170  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        4.243  -0.306   0.427  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.091   0.385  -0.770  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.879   0.732  -1.253  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        3.234  -1.367   2.379  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.106  -1.723   3.113  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        2.289  -2.579   4.595  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        1.792   0.385  -0.519  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        0.834  -1.394   2.660  0.00  0.00    +0.030 A 
BRANCH  17  24
ATOM     24  C   LIG    1        5.218   0.785  -1.595  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.558   0.555  -1.348  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        7.242   1.110  -2.393  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.671   1.127  -2.584  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.447   1.687  -3.309  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.218   1.489  -2.822  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.112   2.054   0.254  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.039   3.017   1.441  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.904   4.246   1.179  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.116   4.492  -0.214  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.949   4.245  -0.992  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -2.678   2.748  -1.045  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3