REMARK  Name = BDB016210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.557  -0.103   0.957  0.00  0.00    +0.006 A 
ATOM      2  C   LIG    1        2.190  -0.340  -0.312  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        1.381  -0.857  -1.331  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.575  -1.361  -0.959  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        1.891  -1.500  -2.530  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        2.650  -0.517  -3.385  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        4.048  -0.283  -2.921  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.330  -0.014  -1.624  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        5.314   0.209  -1.526  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.980  -0.268  -3.731  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.604  -2.816  -2.227  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.544   0.047  -0.456  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1        4.251   0.541   0.659  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        3.633   0.713   1.891  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1        4.528   1.332   3.222  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        2.294   0.407   2.041  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -2.632  -0.925   1.596  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -2.232   0.213   0.853  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -0.861   0.464   0.655  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.126  -0.382   1.186  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -0.278  -1.498   1.923  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.635  -1.770   2.113  0.00  0.00    +0.024 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -4.442  -1.639   3.067  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -3.993  -1.286   1.730  0.00  0.00    -0.346 N 
ATOM     25  H   LIG    1       -4.562  -0.512   1.339  0.00  0.00    +0.146 HD
ENDBRANCH  17  24
BRANCH  18  26
ATOM     26  C   LIG    1       -3.239   1.172   0.287  0.00  0.00    +0.044 C 
ATOM     27  N   LIG    1       -4.517   1.000   0.435  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1       -5.036   1.741  -0.048  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -2.796   2.364  -0.493  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -2.108   3.519   0.201  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -3.490   3.702  -0.339  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4