REMARK  Name = BDB058432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.461   1.644   1.680  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.035   0.381   1.331  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.406   0.174   1.140  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.303   1.228   1.301  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.814   2.491   1.640  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.446   2.701   1.831  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.948   1.867   1.873  0.00  0.00    +0.139 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -2.349   3.130  -0.231  0.00  0.00    +0.129 C 
ATOM      9  N   LIG    1       -2.676   1.969   0.595  0.00  0.00    -0.329 N 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.086   0.787  -0.028  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -3.766  -0.205   0.698  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.195  -1.401   0.099  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -3.955  -1.624  -1.257  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.298  -0.651  -2.003  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.877   0.537  -1.394  0.00  0.00    +0.023 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -4.899  -2.394   0.946  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1       -5.115  -2.292   2.139  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -5.302  -3.477   0.257  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -5.748  -4.029   0.932  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        3.659   1.168   1.134  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.275  -0.118   1.026  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.291  -0.659  -0.389  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        4.283  -2.047  -0.605  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.324  -2.561  -1.902  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.386  -1.691  -2.983  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1        4.426  -2.187  -4.227  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        4.410  -0.316  -2.793  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        4.369   0.201  -1.497  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8