REMARK  Name = BDB053371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.104   2.594  -0.662  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.688   1.852  -1.544  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -0.259   1.447  -2.628  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -2.149   1.609  -1.155  0.00  0.00    +0.096 C 
ATOM      5  C   LIG    1       -2.675   0.266  -1.728  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -4.204   0.330  -1.868  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -4.612   1.432  -2.850  0.00  0.00    +0.081 C 
ATOM      8  N   LIG    1       -3.690   2.568  -2.909  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -2.985   2.389  -3.629  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -3.003   2.800  -1.636  0.00  0.00    +0.094 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -2.216  -0.942  -0.923  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -1.412  -1.875  -1.462  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -0.974  -3.066  -0.683  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1       -0.248  -3.897  -1.222  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -1.435  -3.132   0.629  0.00  0.00    -0.318 N 
ATOM     16  C   LIG    1       -1.038  -4.250   1.469  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -2.260  -2.163   1.168  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -2.656  -1.106   0.449  0.00  0.00    +0.022 A 
ENDBRANCH   5  11
ENDBRANCH   2   4
BRANCH   1  19
ATOM     19  C   LIG    1       -0.304   2.950   0.680  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        0.162   4.203   1.381  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -1.265   4.079   0.954  0.00  0.00    +0.024 C 
ENDBRANCH   1  19
BRANCH   1  22
ATOM     22  C   LIG    1        1.500   2.862  -1.045  0.00  0.00    +0.144 C 
BRANCH  22  25
ATOM     23  C   LIG    1        3.397   0.211   0.972  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        2.455   0.851   0.151  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.528   2.235  -0.123  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        3.589   2.968   0.433  0.00  0.00    +0.046 A 
ATOM     27 CL   LIG    1        3.820   4.653   0.127  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.521   2.345   1.266  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.420   0.982   1.538  0.00  0.00    +0.005 A 
BRANCH  23  30
ATOM     30  C   LIG    1        3.350  -1.264   1.312  0.00  0.00    +0.037 C 
BRANCH  30  31
ATOM     31  C   LIG    1        2.506  -2.153   0.392  0.00  0.00    +0.033 C 
BRANCH  31  32
ATOM     32  C   LIG    1        2.732  -3.636   0.676  0.00  0.00    +0.160 C 
BRANCH  32  34
ATOM     33  C   LIG    1        2.592  -5.295   2.339  0.00  0.00    +0.193 C 
ATOM     34  O   LIG    1        2.367  -3.926   2.026  0.00  0.00    -0.383 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9