REMARK  Name = BDB014341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.261  -3.398   2.886  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.023  -2.192   2.055  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -1.957  -1.560   1.196  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -1.351  -0.448   0.607  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.111   0.347  -0.256  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -3.385  -0.022  -0.508  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -3.870  -1.117   0.100  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -0.045  -0.438   1.062  0.00  0.00    -0.343 N 
ATOM      9  N   LIG    1       -3.235  -1.928   0.961  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.142  -1.461   1.964  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.272  -1.489  -0.198  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1       -5.803  -2.573   0.392  0.00  0.00    -0.269 N 
ATOM     13  H   LIG    1       -5.352  -3.195   1.042  0.00  0.00    +0.174 HD
ATOM     14  C   LIG    1       -7.064  -2.677  -0.047  0.00  0.00    +0.440 A 
ATOM     15  O   LIG    1       -7.863  -3.543   0.271  0.00  0.00    -0.221 OA
ATOM     16  O   LIG    1       -7.308  -1.644  -0.918  0.00  0.00    -0.295 OA
ATOM     17  N   LIG    1       -6.096  -0.882  -0.990  0.00  0.00    -0.051 NA
ENDBRANCH   7  11
BRANCH   5  18
ATOM     18  C   LIG    1       -1.672   1.569  -0.905  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.579   2.783  -0.210  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -1.171   3.933  -0.878  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1       -1.028   5.423  -0.038  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -0.872   3.845  -2.228  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1       -0.959   2.698  -2.941  0.00  0.00    -0.261 NA
ATOM     24  C   LIG    1       -1.378   1.598  -2.268  0.00  0.00    +0.120 A 
ENDBRANCH   5  18
BRANCH   8  25
ATOM     25  C   LIG    1        1.023   0.487   0.698  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.676   0.177  -0.666  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.605  -1.056  -0.618  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        4.100  -0.724  -0.665  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        4.428   0.527   0.151  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1        5.934   0.784   0.186  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        3.674   1.756  -0.382  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        2.427   1.405  -1.197  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 4