REMARK  Name = BDB001372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.772  -0.749  -2.436  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.778  -0.976  -1.772  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -2.572  -0.762  -0.426  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.195  -1.060   0.000  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.631  -1.688  -1.268  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.581  -2.327  -1.510  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.844  -2.810  -2.798  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.101  -2.670  -3.828  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.328  -2.056  -3.582  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.560  -1.585  -2.301  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.215  -1.993   1.222  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.523  -3.361   1.088  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.567  -4.205   2.200  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.319  -3.698   3.472  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.039  -2.344   3.635  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.996  -1.500   2.523  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1       -3.560  -0.117   0.421  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.348   1.367   0.601  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -3.043   1.897   1.863  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.849   3.270   2.029  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.960   4.128   0.936  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.268   3.614  -0.323  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.463   2.243  -0.489  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  24
ATOM     24  O   LIG    1       -0.601   0.215   0.253  0.00  0.00    -0.346 OA
BRANCH  24  25
ATOM     25  C   LIG    1        0.803   0.276   0.481  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.493   0.992  -0.691  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  N   LIG    1        2.963   0.965  -0.609  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1        3.471   1.749   0.540  0.00  0.00    +0.099 C 
ATOM     29  C   LIG    1        4.980   2.098   0.442  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1        5.706   1.230  -0.499  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1        5.495   0.270  -0.216  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        5.112   1.393  -1.842  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1        3.564   1.473  -1.858  0.00  0.00    +0.099 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7