REMARK  Name = BDB062315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.357  -2.890   1.001  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -3.154  -2.437  -0.447  0.00  0.00    +0.093 C 
ATOM      3  N   LIG    1       -2.025  -1.510  -0.513  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.212  -1.954  -0.092  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.008  -0.130  -0.304  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.638   0.464  -0.143  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.483   1.772   0.335  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.629   2.593   0.486  0.00  0.00    -0.311 N 
ATOM      9  C   LIG    1       -2.869   2.176   0.033  0.00  0.00    +0.259 A 
ATOM     10  O   LIG    1       -3.814   2.956  -0.101  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.487   3.979   0.908  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.807   2.268   0.586  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.944   1.501   0.316  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.825   0.234  -0.243  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.533  -0.265  -0.465  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.065   0.711  -0.258  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -4.535   0.420  -0.468  0.00  0.00    +0.202 C 
ATOM     18  O   LIG    1       -4.991  -0.901  -0.205  0.00  0.00    -0.373 OA
ATOM     19  C   LIG    1       -4.426  -1.874  -1.070  0.00  0.00    +0.182 C 
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        2.931  -0.586  -0.542  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.756  -1.200  -1.336  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.254  -0.591  -0.043  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        5.343  -0.964  -0.854  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.618  -0.905  -0.306  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        8.040  -1.332  -1.180  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.888  -0.513   0.959  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        5.836  -0.162   1.720  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.527  -0.181   1.269  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        5.146  -1.390  -2.202  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        4.925  -1.747  -3.284  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH  14  20
TORSDOF 3