REMARK  Name = BDB012757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.554  -4.276   0.697  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        3.548  -3.392   0.025  0.00  0.00    +0.040 A 
ATOM      3  N   LIG    1        2.245  -3.585   0.338  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        1.315  -2.803  -0.262  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.669  -1.826  -1.189  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.014  -1.622  -1.500  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        3.966  -2.421  -0.875  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.117  -3.066   0.153  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.942  -1.806   0.427  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -1.635  -1.518  -0.827  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -2.526  -0.484  -1.077  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -3.252  -0.502  -2.070  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.587  -2.663  -1.725  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -0.933  -3.783  -0.926  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -2.586   0.595  -0.127  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -1.520   1.299   0.356  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -0.539   1.183   0.118  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -1.849   2.257   1.240  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -3.188   2.234   1.258  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -3.693   1.225   0.405  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.950   3.208   2.111  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -4.789   2.491   3.171  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -4.829   4.130   1.263  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  N   LIG    1        3.389  -0.597  -2.388  0.00  0.00    -0.340 N 
ATOM     25  H   LIG    1        2.584  -0.241  -2.899  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.124   0.514  -1.773  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.179   1.462  -1.067  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        2.962   1.352   0.315  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.081   2.218   0.964  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.405   3.197   0.239  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.599   3.305  -1.137  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.481   2.442  -1.788  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6