REMARK  Name = BDB058478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.325  -4.896   0.524  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.031  -3.493   0.544  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.196  -2.916   0.198  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.068  -1.533   0.305  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.109  -0.676   0.001  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.335  -1.228  -0.395  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.438  -2.642  -0.515  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.238  -1.254   0.733  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.371  -3.500  -0.213  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.949  -2.468   0.861  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.123  -2.600   1.169  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.450  -0.453  -0.785  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -4.307  -0.997  -0.828  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.740   0.925  -0.616  0.00  0.00    +0.146 A 
ATOM     15  C   LIG    1       -4.908   1.439  -1.185  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1       -6.052   0.460  -2.018  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1       -5.130   2.794  -1.039  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1       -4.287   3.622  -0.395  0.00  0.00    -0.224 NA
ATOM     19  C   LIG    1       -3.196   3.031   0.105  0.00  0.00    +0.224 A 
ATOM     20 CL   LIG    1       -2.082   4.039   0.912  0.00  0.00    -0.041 Cl
ATOM     21  N   LIG    1       -2.874   1.733   0.028  0.00  0.00    -0.201 NA
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1        1.801   0.063   0.918  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.370   0.617  -0.391  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.998   2.016  -0.260  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1        1.971   3.076   0.142  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        3.660   2.417  -1.582  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1        4.008   1.994   0.750  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1        4.668   1.321   0.505  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6