REMARK  Name = BDB057851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.779   2.933   3.160  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.453   2.420   2.488  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.424   1.557   1.399  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.552   1.141   0.798  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.727   1.558   1.307  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.855   2.382   2.360  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.709   2.792   2.927  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.964   1.136   0.626  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.270  -0.211   0.294  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.462  -0.485  -0.414  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.354   0.529  -0.760  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.077   1.841  -0.409  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.898   2.138   0.273  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.358  -1.374   0.680  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.642  -1.935  -0.551  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -4.108  -2.488   1.423  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.820   1.151   0.882  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.400   0.784   1.630  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.741   0.214  -0.231  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.145  -0.161  -0.652  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.647  -1.446  -0.421  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.950  -1.784  -0.806  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.778  -0.837  -1.427  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        4.278   0.453  -1.654  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        2.974   0.784  -1.268  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  N   LIG    1        6.105  -1.181  -1.817  0.00  0.00    -0.306 N 
ATOM     27  C   LIG    1        7.037  -0.368  -2.431  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1        8.178  -0.981  -2.662  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1        8.000  -2.247  -2.187  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1        6.738  -2.398  -1.663  0.00  0.00    +0.112 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6