REMARK  Name = BDB054888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.404  -0.803  -0.281  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.448  -0.256  -1.150  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.852  -0.783  -1.225  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        1.192  -1.863  -0.404  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.251  -2.407   0.467  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.041  -1.879   0.529  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.800  -0.628   0.428  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.686  -0.211  -0.277  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.814   0.558  -0.922  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.896  -1.620   1.141  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -6.844  -1.641  -0.028  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -6.266  -0.346   0.071  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -7.351   0.502  -0.082  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -7.279   1.893  -0.061  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -6.012   2.451   0.135  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.885   1.639   0.292  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -8.480  -0.233  -0.251  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -4.994   0.233   0.251  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -8.165  -1.579  -0.217  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -6.146  -2.790   0.063  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -6.677  -3.628   0.276  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -5.252  -2.763   0.565  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.879  -0.180  -2.151  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.787   0.686  -1.427  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.350   1.355  -0.813  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1        4.024   0.225  -1.024  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1        4.685   1.188  -0.292  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.283   2.112  -0.336  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        4.444  -0.886  -1.316  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1        5.931   1.073   0.355  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        6.471   2.236   0.920  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        7.700   2.202   1.586  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        8.394   1.001   1.694  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1        9.905   0.956   2.513  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1        7.867  -0.163   1.143  0.00  0.00    +0.022 A 
ATOM     36  C   LIG    1        6.636  -0.127   0.476  0.00  0.00    +0.025 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6