REMARK  Name = BDB023035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.866  -1.840  -0.760  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        0.547  -2.850   0.349  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.917  -3.152   0.088  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.453  -1.787  -0.345  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.376  -1.159  -1.081  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.345   3.041   0.294  0.00  0.00    -0.168 NA
ATOM      7  C   LIG    1        3.277   2.432  -0.139  0.00  0.00    +0.200 A 
ATOM      8  C   LIG    1        3.029   0.985  -0.071  0.00  0.00    +0.151 A 
ATOM      9  N   LIG    1        3.769  -0.040   0.485  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        3.064  -1.132   0.245  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1        1.869  -0.856  -0.385  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1        1.868   0.485  -0.598  0.00  0.00    +0.145 A 
ATOM     13  N   LIG    1        0.950   1.267  -1.184  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1        0.071   0.908  -1.553  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.213   2.618  -1.184  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        2.263   3.210  -0.701  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  N   LIG    1        5.377   2.302   0.782  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        5.826   2.777   1.563  0.00  0.00    +0.164 HD
ATOM     19  H   LIG    1        5.109   1.355   1.079  0.00  0.00    +0.164 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        1.345  -4.029   0.275  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        0.892  -4.615  -0.370  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -0.969  -4.096  -0.999  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -1.909  -4.310  -1.148  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -1.863  -0.905   0.860  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.403   0.455   0.457  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -1.746   1.625   0.874  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.232   2.883   0.508  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.381   2.982  -0.271  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -3.977   4.529  -0.726  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -4.052   1.833  -0.684  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -3.567   0.575  -0.319  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -2.851  -1.585   1.633  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.335  -0.912   2.148  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7