REMARK  Name = BDB032070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.234   2.863   2.588  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -1.615   2.232   1.443  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1       -2.209   1.065   0.945  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1       -3.222   0.564   1.425  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.507   0.515  -0.197  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.696  -0.628  -1.023  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.667  -0.614  -1.953  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.121   0.484  -1.711  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -0.379   1.172  -0.640  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        0.185   2.296  -0.137  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.468   2.775   0.881  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.719  -1.661  -1.005  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1       -2.360  -3.015  -1.071  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.345  -4.010  -1.060  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -4.695  -3.654  -0.984  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -5.058  -2.309  -0.919  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.074  -1.319  -0.931  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -2.970  -5.392  -1.124  0.00  0.00    +0.099 C 
ATOM     19  N   LIG    1       -2.668  -6.511  -1.179  0.00  0.00    -0.191 NA
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  C   LIG    1        1.284   0.875  -2.486  0.00  0.00    +0.219 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.575   0.390  -1.855  0.00  0.00    +0.237 C 
ATOM     22  N   LIG    1        2.922   1.068  -0.699  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.238   1.739  -0.340  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.226  -0.507  -2.386  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.077   0.882   0.104  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.227   1.649   1.268  0.00  0.00    +0.080 A 
ATOM     27 CL   LIG    1        3.060   2.821   1.758  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        5.360   1.463   2.049  0.00  0.00    +0.132 A 
ATOM     29  N   LIG    1        6.342   0.581   1.759  0.00  0.00    -0.262 NA
ATOM     30  C   LIG    1        6.178  -0.146   0.634  0.00  0.00    +0.112 A 
ATOM     31  C   LIG    1        5.083  -0.032  -0.211  0.00  0.00    +0.044 A 
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5