REMARK  Name = BDB052251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.152   0.190  -0.482  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -3.830  -0.212  -0.206  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.611  -1.452   0.385  0.00  0.00    +0.069 A 
ATOM      4  N   LIG    1       -2.248  -1.536   0.516  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.745  -2.305   0.931  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.678  -0.387   0.014  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.640  -2.333   0.729  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.945  -1.914   0.447  0.00  0.00    +0.044 A 
ATOM      9 CL   LIG    1       -7.258  -2.956   0.846  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -2.624   0.428  -0.419  0.00  0.00    -0.227 NA
ATOM     11  C   LIG    1       -6.206  -0.680  -0.147  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.236  -0.120  -0.003  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        0.719  -1.127   0.185  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.087  -0.829   0.165  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        2.537   0.484  -0.039  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1        1.583   1.489  -0.241  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        0.216   1.189  -0.223  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.009   0.817  -0.085  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1        4.785   0.122   0.953  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        4.697   0.612   1.841  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        6.162   0.135   0.473  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        6.010  -0.212  -0.994  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        4.681   0.415  -1.402  0.00  0.00    +0.025 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -4.415   2.304  -1.434  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.453   2.020  -1.255  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.598   3.194  -1.874  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.463   1.493  -1.113  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -6.619   1.832  -1.340  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3