REMARK  Name = BDB021789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.382  -1.584  -1.865  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.670  -1.237  -1.455  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.752  -0.191  -0.570  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        0.914   0.033  -0.057  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.657  -1.842  -1.871  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.918   0.460  -0.096  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        2.800   1.351   0.988  0.00  0.00    +0.063 A 
ATOM      8 CL   LIG    1        1.269   1.634   1.746  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1        3.911   2.034   1.494  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        5.169   1.841   0.915  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        5.295   0.966  -0.170  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.179   0.285  -0.672  0.00  0.00    +0.025 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.390   2.538   1.404  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1        7.493   2.400   0.900  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.095   3.328   2.467  0.00  0.00    -0.464 OA
ATOM     16  C   LIG    1        7.221   4.030   2.996  0.00  0.00    +0.280 C 
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -3.058   0.526  -0.518  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -2.155   0.016   0.502  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -1.337  -1.154  -0.058  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.899  -0.922  -1.513  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -0.967   0.554  -1.915  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.376   1.115  -1.676  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.257   1.263  -0.088  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -5.107   0.484   0.926  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.107   2.757   0.300  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.216   2.672   2.713  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.026   3.183   1.296  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.266  -2.786  -2.701  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.226  -3.982  -1.918  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.530  -4.469  -2.093  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.981  -5.564  -1.355  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.135  -6.185  -0.437  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.163  -5.711  -0.256  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.615  -4.615  -0.992  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9