REMARK  Name = BDB053115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.662  -0.390  -0.910  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.382  -0.212   0.337  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -2.276  -1.424   0.374  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -2.066  -2.195  -0.768  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.746  -3.374  -1.013  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.673  -3.788  -0.056  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.892  -3.026   1.107  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.191  -1.836   1.331  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.044  -1.534  -1.586  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.639  -1.948  -2.654  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -2.149   1.104   0.414  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.994   1.975   1.508  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.700   3.180   1.576  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.574   3.529   0.551  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.442   5.012   0.634  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.750   2.684  -0.541  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.044   1.479  -0.608  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -0.451  -0.346   1.392  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.263  -0.887   1.015  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.322   0.548  -1.422  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        4.195  -0.067   0.393  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        3.711  -0.968  -0.558  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        2.464  -0.762  -1.153  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.682   0.347  -0.801  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.168   1.243   0.161  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.416   1.037   0.754  0.00  0.00    +0.016 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.726   0.874   0.171  0.00  0.00    +0.112 C 
ATOM     28  S   LIG    1        5.804  -0.319   1.174  0.00  0.00    -0.015 S 
ATOM     29  O   LIG    1        6.325  -1.833   0.738  0.00  0.00    -0.157 OA
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5