REMARK  Name = BDB032077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.209  -0.256  -0.783  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -0.863   0.845   0.050  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.328   1.363  -0.410  0.00  0.00    +0.149 A 
ATOM      4  N   LIG    1        1.036   2.402   0.093  0.00  0.00    -0.219 NA
ATOM      5  C   LIG    1        0.466   2.947   1.127  0.00  0.00    +0.204 A 
ATOM      6  N   LIG    1       -0.729   2.544   1.706  0.00  0.00    -0.302 N 
ATOM      7  C   LIG    1       -1.245   3.233   2.869  0.00  0.00    +0.153 C 
ATOM      8  N   LIG    1        0.719   0.631  -1.497  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -1.470   1.463   1.212  0.00  0.00    +0.263 A 
ATOM     10  O   LIG    1       -2.526   1.081   1.709  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -0.204  -0.358  -1.734  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -6.152  -0.923  -0.538  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -4.767  -1.497  -0.644  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -4.564  -2.883  -0.716  0.00  0.00    +0.137 A 
ATOM     15  C   LIG    1       -3.267  -3.406  -0.806  0.00  0.00    +0.094 A 
ATOM     16  C   LIG    1       -2.167  -2.538  -0.826  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -2.352  -1.152  -0.755  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -3.653  -0.643  -0.665  0.00  0.00    +0.015 A 
BRANCH  14  19
ATOM     19  O   LIG    1       -5.685  -3.672  -0.693  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1       -5.455  -4.617  -0.719  0.00  0.00    +0.292 HD
ENDBRANCH  14  19
BRANCH  15  21
ATOM     21  C   LIG    1       -3.034  -4.816  -0.879  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -2.892  -5.966  -0.938  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   8  23
ATOM     23  C   LIG    1        1.907   0.884  -2.291  0.00  0.00    +0.219 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.138   0.237  -1.689  0.00  0.00    +0.237 C 
ATOM     25  N   LIG    1        3.593   0.861  -0.539  0.00  0.00    -0.283 N 
ATOM     26  H   LIG    1        3.005   1.610  -0.163  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        3.658  -0.735  -2.234  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.732   0.528   0.238  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.000   1.263   1.401  0.00  0.00    +0.080 A 
ATOM     30 CL   LIG    1        3.997   2.567   1.921  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        6.117   0.933   2.158  0.00  0.00    +0.132 A 
ATOM     32  N   LIG    1        6.976  -0.062   1.842  0.00  0.00    -0.262 NA
ATOM     33  C   LIG    1        6.701  -0.755   0.718  0.00  0.00    +0.112 A 
ATOM     34  C   LIG    1        5.611  -0.501  -0.103  0.00  0.00    +0.044 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6