REMARK  Name = BDB012189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.306  -1.722  -1.191  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.898  -0.837  -0.440  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.455  -0.538  -0.309  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -1.415  -1.263  -1.143  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -2.559  -0.353  -1.577  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.316   0.231  -0.372  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -2.460   0.266   0.905  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -0.986   0.484   0.592  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.574  -0.523  -0.116  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1       -5.732   0.200  -0.019  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1       -6.658  -0.786   0.217  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1       -6.111  -1.986   0.263  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1       -4.760  -1.815   0.048  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1       -8.048  -0.382   0.379  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -8.446   0.961   0.291  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -9.788   1.321   0.450  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1      -10.748   0.342   0.698  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1      -10.370  -0.996   0.788  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -9.029  -1.355   0.629  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1        1.862  -0.019   0.410  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.322  -0.285   0.042  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.273   0.496   0.946  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.702   0.357   0.480  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        6.284  -0.867   0.675  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        5.773  -1.626   1.103  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        7.574  -1.153   0.308  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        8.079  -2.251   0.505  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        8.311  -0.050  -0.331  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        7.637   1.163  -0.495  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        8.314   2.225  -1.099  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        9.636   2.073  -1.530  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       10.295   0.854  -1.359  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        9.633  -0.215  -0.757  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        6.309   1.355  -0.075  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6