REMARK  Name = BDB004030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.606  -0.779   0.319  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.699  -0.461   0.297  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -1.585  -1.281   0.905  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -1.166  -2.444   1.537  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1       -2.234  -3.527   2.338  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        0.184  -2.694   1.506  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        1.080  -1.883   0.911  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        1.438   0.134  -0.321  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        0.874   0.896  -0.669  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1        5.590   0.496  -1.043  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        5.104  -0.620  -0.359  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.731  -0.756  -0.111  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.817   0.213  -0.536  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        3.324   1.329  -1.224  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        4.694   1.474  -1.478  0.00  0.00    +0.017 A 
BRANCH  10  17
ATOM     16  O   LIG    1        7.890  -0.211  -0.936  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1        7.050   0.598  -1.283  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1        7.392   1.714  -1.951  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        8.366   1.645  -2.035  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1       -2.970  -0.974   0.876  0.00  0.00    -0.297 N 
ATOM     21  H   LIG    1       -3.387  -1.162   1.793  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.640   0.092   0.226  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -4.810   0.676   0.765  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1       -5.476   1.701   0.065  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -5.005   2.145  -1.168  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.870   1.564  -1.718  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.203   0.545  -1.032  0.00  0.00    +0.024 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.419   0.291   2.070  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1       -6.457   0.734   2.529  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.710  -0.622   2.765  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -5.253  -0.744   3.576  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 8