REMARK  Name = BDB058487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -4.718   0.133  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.937  -3.314  -0.150  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.162  -2.450  -0.206  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.312  -1.165  -0.471  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.540  -0.083  -0.570  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.919  -0.305  -0.404  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.380  -1.617  -0.133  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.707  -1.238  -0.589  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.503  -2.705  -0.034  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.118  -2.572  -0.363  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.265  -2.989  -0.340  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.788   0.806  -0.461  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.452   1.535  -1.088  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.061   1.031   0.113  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.019   1.841  -0.525  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.262   1.983   0.076  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.529   2.943  -0.591  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.620   1.393   1.239  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.692   0.623   1.835  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.425   0.413   1.317  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.723   2.500  -1.757  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.421   3.026  -2.747  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.605  -0.126  -0.785  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.062   0.464   0.553  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.064   1.625   0.418  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -3.450   2.837  -0.284  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.576   2.038   1.802  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -5.183   1.204  -0.360  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -5.590   0.436   0.082  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7