REMARK  Name = BDB058338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.927   0.568   0.288  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1       -2.527   0.263  -0.070  0.00  0.00    -0.309 N 
ATOM      3  C   LIG    1       -1.629   1.316  -0.403  0.00  0.00    +0.018 C 
ATOM      4  C   LIG    1       -2.186   2.719  -0.592  0.00  0.00    +0.052 C 
ATOM      5  C   LIG    1       -1.121   3.806  -0.510  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1        0.046   3.486  -1.419  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        0.610   2.123  -1.105  0.00  0.00    +0.162 C 
ATOM      8  O   LIG    1        1.788   1.866  -1.359  0.00  0.00    -0.292 OA
ATOM      9  C   LIG    1       -0.309   1.069  -0.578  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        0.289  -0.305  -0.338  0.00  0.00    +0.092 C 
ATOM     11  C   LIG    1       -0.781  -1.381  -0.335  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -0.314  -2.793  -0.478  0.00  0.00    +0.162 C 
ATOM     13  C   LIG    1       -1.326  -3.899  -0.320  0.00  0.00    +0.080 C 
ATOM     14  C   LIG    1       -2.655  -3.473  -0.906  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.145  -2.185  -0.256  0.00  0.00    +0.052 C 
ATOM     16  O   LIG    1        0.872  -3.051  -0.674  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1       -2.096  -1.086  -0.210  0.00  0.00    +0.018 C 
ENDROOT
BRANCH  10  18
ATOM     18  C   LIG    1        1.115  -0.319   0.960  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        2.525  -0.368   0.933  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        3.245  -0.416   2.133  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.582  -0.377   3.362  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        1.195  -0.291   3.395  0.00  0.00    +0.018 A 
ATOM     23 BR   LIG    1        0.296  -0.223   5.056  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        0.464  -0.261   2.211  0.00  0.00    +0.023 A 
BRANCH  19  25
ATOM     25  O   LIG    1        3.104  -0.370  -0.307  0.00  0.00    -0.480 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.496  -0.092  -0.385  0.00  0.00    +0.349 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.872   0.232  -1.819  0.00  0.00    +0.343 C 
ATOM     28  O   LIG    1        5.965  -0.025  -2.307  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1        3.916   0.899  -2.506  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1        3.108   1.078  -1.955  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  10  18
TORSDOF 5