REMARK  Name = BDB016879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.550   0.095   1.322  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1        0.379   0.366   0.173  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1        1.626   0.653   0.904  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.497   0.490   2.245  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        2.655   0.737   2.895  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1        3.509   1.073   1.935  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1        4.937   1.423   2.164  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1        2.900   1.060   0.677  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.145   0.116   2.574  0.00  0.00    +0.273 C 
ATOM     10  O   LIG    1       -0.279  -0.123   3.693  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -5.051  -0.772   3.201  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -4.140  -0.417   2.056  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -4.622  -0.163   0.745  0.00  0.00    +0.181 A 
ATOM     14  N   LIG    1       -3.705   0.135  -0.238  0.00  0.00    -0.195 N 
ATOM     15  C   LIG    1       -4.446   0.311  -1.382  0.00  0.00    +0.152 A 
ATOM     16  N   LIG    1       -5.724   0.142  -1.107  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1       -3.847   0.635  -2.692  0.00  0.00    +0.090 C 
ATOM     18  N   LIG    1       -2.352   0.241  -0.113  0.00  0.00    -0.148 NA
ATOM     19  C   LIG    1       -1.921   0.011   1.091  0.00  0.00    +0.150 A 
ATOM     20  N   LIG    1       -5.834  -0.157   0.232  0.00  0.00    -0.128 NA
ATOM     21  C   LIG    1       -2.807  -0.338   2.244  0.00  0.00    +0.053 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        0.491  -0.830  -0.763  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        0.948  -2.084  -0.316  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.037  -3.166  -1.196  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.664  -3.009  -2.528  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        0.777  -4.341  -3.611  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.200  -1.780  -2.989  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.113  -0.697  -2.110  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1        3.541   1.427  -0.581  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1        2.677   2.332  -1.461  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1        4.031   0.200  -1.346  0.00  0.00    +0.030 C 
ENDBRANCH   8  29
TORSDOF 3