REMARK  Name = BDB021874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.030  -0.152   0.540  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -3.336  -0.086   0.065  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.665   0.903  -0.818  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -4.464   0.636  -1.381  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -4.210  -0.901   0.363  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.606   2.297  -0.566  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.100   2.846   0.616  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.078   4.232   0.793  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1       -2.428   4.863   2.263  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1       -3.574   5.075  -0.205  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -4.097   4.536  -1.378  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -4.116   3.149  -1.553  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -3.550   6.431  -0.030  0.00  0.00    -0.505 OA
ATOM     14  H   LIG    1       -3.934   6.866  -0.808  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        1.980  -0.378  -0.255  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        1.400   0.192   0.975  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.204   1.089   0.673  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.872   0.437  -0.199  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -0.291  -0.467  -1.292  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.973  -1.233  -0.906  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        3.243  -1.107   0.044  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        3.760  -1.988  -1.110  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        4.380  -0.166   0.536  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.988   1.018  -1.671  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        4.596   1.157  -0.212  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1       -1.810  -1.050   1.682  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.357  -2.461   1.379  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -1.933  -3.231   0.358  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.516  -4.545   0.131  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.531  -5.116   0.932  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.030  -4.378   1.970  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.387  -3.064   2.198  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8