REMARK  Name = BDB016887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.196  -0.348  -1.073  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -1.864  -0.483  -0.877  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -0.701   0.323  -0.469  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1        0.375  -0.717  -0.580  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.139  -1.991  -0.978  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        0.444  -3.047  -1.164  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.554  -1.774  -1.155  0.00  0.00    +0.149 A 
ATOM      8  N   LIG    1       -2.648  -2.478  -1.535  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1       -3.643  -1.599  -1.489  0.00  0.00    +0.108 A 
ATOM     10  C   LIG    1       -5.057  -1.896  -1.838  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.761  -0.417  -0.386  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.723  -1.439  -0.349  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.066  -1.085  -0.155  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        4.491   0.225   0.010  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        5.850   0.246   0.188  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        6.293  -1.003   0.143  0.00  0.00    -0.065 NA
ATOM     17  C   LIG    1        3.553   1.268  -0.022  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        3.926   2.712   0.145  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1        5.230  -1.800  -0.070  0.00  0.00    -0.247 N 
ATOM     20  C   LIG    1        5.414  -3.224  -0.166  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        2.197   0.913  -0.226  0.00  0.00    +0.029 A 
ENDBRANCH   4  11
BRANCH   3  22
ATOM     22  C   LIG    1       -0.866   0.906   0.925  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.841   0.096   2.075  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.012   0.654   3.345  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.215   2.024   3.478  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.431   2.711   5.040  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.249   2.844   2.352  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.078   2.288   1.082  0.00  0.00    +0.007 A 
ENDBRANCH   3  22
BRANCH   1  30
ATOM     29  C   LIG    1       -4.679   0.935   0.430  0.00  0.00    +0.027 C 
ATOM     30  C   LIG    1       -3.986   0.855  -0.919  0.00  0.00    +0.120 C 
ENDBRANCH   1  30
TORSDOF 3