REMARK  Name = BDB021897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.731   0.217  -0.809  0.00  0.00    -0.291 N 
ATOM      2  H   LIG    1       -2.533  -0.759  -0.656  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -1.701   1.092  -0.596  0.00  0.00    +0.300 C 
ATOM      4  N   LIG    1       -0.481   0.501  -0.781  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.453  -0.504  -0.839  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.863   2.269  -0.301  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  16
ATOM      7  C   LIG    1       -4.177  -0.685   2.998  0.00  0.00    +0.132 C 
ATOM      8  N   LIG    1       -4.427  -0.611   1.571  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -5.140  -1.644   0.962  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -5.432  -2.691   1.532  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -5.540  -1.439  -0.463  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -5.050  -0.347  -1.200  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1       -5.414  -0.208  -2.548  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -6.270  -1.134  -3.145  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.761  -2.211  -2.409  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.103   0.635  -0.555  0.00  0.00    +0.123 C 
ATOM     17  C   LIG    1       -6.394  -2.367  -1.071  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -4.411   0.716   0.953  0.00  0.00    +0.134 C 
ENDBRANCH   1  16
BRANCH   4  19
ATOM     19  C   LIG    1        0.766   1.216  -0.517  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.907   0.589  -1.324  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        3.264   0.970  -0.742  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        3.437   0.578   0.665  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        2.180   0.277   1.360  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        1.080   1.267   0.986  0.00  0.00    +0.038 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.409  -0.512   0.848  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.835  -0.112   0.528  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        6.405   1.032   1.107  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        7.726   1.386   0.830  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.495   0.597  -0.024  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.943  -0.547  -0.599  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.622  -0.902  -0.323  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 4