REMARK  Name = BDB016875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.308  -1.074  -0.917  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.688  -0.552   0.078  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.927  -1.085  -0.512  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.724  -1.767  -1.669  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.890  -2.219  -2.194  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -3.807  -1.796  -1.338  0.00  0.00    +0.200 A 
ATOM      7  N   LIG    1       -3.259  -1.102  -0.276  0.00  0.00    -0.329 N 
ATOM      8  C   LIG    1       -0.316  -1.796  -1.983  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.178  -2.349  -2.952  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1        4.916  -1.563  -2.773  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.030  -1.137  -1.640  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1        4.519  -0.585  -0.447  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        5.802  -0.322  -0.042  0.00  0.00    -0.129 NA
ATOM     14  N   LIG    1        5.753   0.204   1.175  0.00  0.00    -0.065 NA
ATOM     15  N   LIG    1        4.458   0.280   1.528  0.00  0.00    -0.247 N 
ATOM     16  C   LIG    1        4.110   0.829   2.810  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        3.632  -0.212   0.553  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        2.241  -0.366   0.441  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        1.721  -0.911  -0.749  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.626  -1.284  -1.759  0.00  0.00    +0.029 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1       -0.718   0.963   0.200  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.849   1.559   1.467  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.899   2.948   1.601  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.822   3.757   0.470  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.886   5.467   0.638  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.698   3.188  -0.794  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.649   1.799  -0.930  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   7  28
ATOM     28  C   LIG    1       -3.980  -0.501   0.835  0.00  0.00    +0.082 C 
ATOM     29  C   LIG    1       -4.744   0.745   0.389  0.00  0.00    +0.030 C 
ATOM     30  C   LIG    1       -4.903  -1.499   1.535  0.00  0.00    +0.030 C 
ENDBRANCH   7  28
TORSDOF 3