REMARK  Name = BDB065177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.659   1.146   2.158  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.939   2.325   2.354  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.561   2.329   2.137  0.00  0.00    +0.063 A 
ATOM      4 CL   LIG    1       -0.300   3.813   2.376  0.00  0.00    -0.082 Cl
ATOM      5  C   LIG    1       -0.122   1.167   1.718  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.619  -0.016   1.583  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        2.000  -0.031   1.800  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        6.695  -0.511  -0.534  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        5.746   0.598  -0.977  0.00  0.00    +0.050 C 
ATOM     10  C   LIG    1        4.568   0.696  -0.017  0.00  0.00    +0.110 C 
ATOM     11  N   LIG    1        4.978   0.745   1.389  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        4.116   1.153   2.411  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        4.495   1.530   3.517  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        6.411   0.783   1.657  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1        7.171  -0.310   0.912  0.00  0.00    +0.050 C 
BRANCH   8  17
ATOM     16  C   LIG    1        8.527  -1.751  -1.416  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        7.800  -0.528  -1.443  0.00  0.00    -0.380 OA
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  N   LIG    1       -1.530   1.187   1.548  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -1.879   2.141   1.579  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.311   0.422   0.648  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -1.724  -0.350  -0.292  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -2.478  -1.086  -1.149  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1       -3.872  -1.056  -1.072  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -4.461  -0.263  -0.093  0.00  0.00    +0.052 A 
ATOM     25  N   LIG    1       -5.821  -0.422  -0.204  0.00  0.00    -0.350 N 
ATOM     26  H   LIG    1       -6.507   0.000   0.407  0.00  0.00    +0.166 HD
ATOM     27  C   LIG    1       -6.133  -1.251  -1.259  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1       -4.927  -1.687  -1.784  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.699   0.494   0.796  0.00  0.00    +0.070 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -7.473  -1.649  -1.641  0.00  0.00    +0.262 C 
ATOM     31  N   LIG    1       -8.496  -0.708  -1.456  0.00  0.00    -0.302 N 
ATOM     32  C   LIG    1       -9.856  -1.200  -1.601  0.00  0.00    +0.132 C 
ATOM     33  C   LIG    1       -8.310   0.697  -1.794  0.00  0.00    +0.132 C 
ATOM     34  O   LIG    1       -7.707  -2.778  -2.064  0.00  0.00    -0.268 OA
ENDBRANCH  27  30
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5