REMARK  Name = BDB016798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.800  -0.189  -0.448  0.00  0.00    -0.321 N 
ATOM      2  C   LIG    1        0.469  -0.427  -0.281  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1       -0.844   0.013  -0.796  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -1.749  -0.953  -0.077  0.00  0.00    -0.252 N 
ATOM      5  C   LIG    1       -1.015  -1.790   0.825  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1       -1.422  -2.660   1.579  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.364  -1.417   0.640  0.00  0.00    +0.150 A 
ATOM      8  N   LIG    1        1.569  -1.784   1.120  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1        2.445  -0.991   0.503  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.128  -1.037  -0.293  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.960  -1.752   0.491  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -5.332  -1.818   0.278  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -6.134  -2.610   1.197  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -5.957  -1.142  -0.761  0.00  0.00    +0.251 A 
ATOM     15  O   LIG    1       -7.162  -1.146  -0.994  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1       -5.055  -0.370  -1.647  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -3.735  -0.336  -1.417  0.00  0.00    +0.030 A 
ENDBRANCH   4  10
BRANCH   3  18
ATOM     18  C   LIG    1       -1.147   1.466  -0.456  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1       -1.372   2.401  -1.483  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -1.646   3.739  -1.186  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.696   4.159   0.141  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.027   5.807   0.503  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -1.479   3.252   1.173  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.207   1.913   0.877  0.00  0.00    +0.007 A 
ENDBRANCH   3  18
BRANCH   9  25
ATOM     25  C   LIG    1        3.992  -1.027   0.892  0.00  0.00    +0.128 A 
ATOM     26  N   LIG    1        4.444  -1.930   1.775  0.00  0.00    -0.168 NA
ATOM     27  N   LIG    1        5.755  -1.681   1.880  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        6.560  -2.488   2.764  0.00  0.00    +0.172 C 
ATOM     29  C   LIG    1        6.171  -0.642   1.105  0.00  0.00    +0.108 A 
ATOM     30  C   LIG    1        5.045  -0.190   0.453  0.00  0.00    +0.052 A 
ENDBRANCH   9  25
BRANCH   1  32
ATOM     31  C   LIG    1        1.797   0.558  -2.841  0.00  0.00    +0.030 C 
ATOM     32  C   LIG    1        2.436   0.651  -1.452  0.00  0.00    +0.083 C 
ATOM     33  C   LIG    1        2.546   2.102  -0.988  0.00  0.00    +0.030 C 
ENDBRANCH   1  32
TORSDOF 4