REMARK  Name = BDB019564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.277  -0.310   0.891  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.702  -1.393   0.105  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.814  -1.307  -0.744  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.479  -0.069  -0.777  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.087   1.040   0.008  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -0.988   0.892   0.863  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.227  -2.375  -1.508  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1       -1.741  -3.744  -1.315  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -2.771  -4.610  -2.039  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -3.252  -3.705  -3.160  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -3.308  -2.331  -2.491  0.00  0.00    +0.105 C 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  O   LIG    1        1.229  -1.608   2.162  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        0.920  -0.491   1.762  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        1.646   0.647   2.049  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.470   1.493   1.524  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.872   0.588   2.810  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.070   0.509   1.899  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1        4.522  -0.736   1.433  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.623  -0.822   0.574  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1        6.126  -2.395   0.063  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        6.281   0.343   0.167  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1        7.650   0.318  -0.887  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        5.824   1.588   0.611  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.728   1.671   1.475  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   5  25
ATOM     25  C   LIG    1       -2.926   2.297  -0.071  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.313   3.463   0.549  0.00  0.00    -0.332 N 
ATOM     27  C   LIG    1       -1.344   4.256  -0.001  0.00  0.00    +0.199 A 
ATOM     28  N   LIG    1       -0.993   5.223   0.820  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1       -1.798   5.072   1.922  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -2.629   3.984   1.776  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6