REMARK  Name = BDB021768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.498  -0.528  -0.819  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.963  -1.673  -0.162  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        2.313  -1.858  -0.091  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1        2.608  -2.802   0.117  0.00  0.00    +0.158 HD
ATOM      5  O   LIG    1        0.225  -2.533   0.315  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.672  -1.099   0.157  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.314  -0.834  -1.236  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.851  -1.147  -1.539  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.951  -0.222  -0.708  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.444  -0.081   0.748  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.555  -1.072   1.103  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.935  -0.465   0.574  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -4.768   0.997   1.009  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.616  -1.327   1.664  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -8.034  -0.839   0.984  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.009  -0.861   2.107  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.202  -0.939   0.428  0.00  0.00    +0.148 A 
ATOM     18  N   LIG    1        4.470  -1.303   0.617  0.00  0.00    -0.151 NA
ATOM     19  N   LIG    1        5.084  -0.212   1.141  0.00  0.00    -0.238 N 
ATOM     20  C   LIG    1        4.195   0.825   1.310  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1        2.973   0.377   0.867  0.00  0.00    +0.065 A 
BRANCH  19  22
ATOM     22  C   LIG    1        6.475  -0.237   1.449  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        7.120   0.884   1.992  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        8.488   0.831   2.284  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        9.211  -0.335   2.037  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       10.892  -0.391   2.399  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        8.580  -1.453   1.499  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        7.215  -1.406   1.205  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH   3  17
BRANCH   1  29
ATOM     29  C   LIG    1        1.155  -0.202  -2.101  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1        0.884   1.181  -2.648  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        0.084   1.348  -3.790  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -0.173   2.623  -4.297  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.369   3.744  -3.674  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.171   3.592  -2.545  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        1.428   2.317  -2.036  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 8