REMARK  Name = BDB001620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670   1.008  -0.973  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.483   0.452  -0.387  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        0.633  -0.388   0.714  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        1.893  -0.720   0.842  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        2.531  -0.021  -0.152  0.00  0.00    +0.185 A 
ATOM      6  N   LIG    1        1.716   0.730  -0.901  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1       -0.532   1.917  -1.794  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -6.126  -0.522   0.166  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.700  -0.135  -0.101  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -4.323   1.214  -0.102  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.006   1.579  -0.386  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.055   0.593  -0.666  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -2.431  -0.753  -0.709  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.750  -1.113  -0.423  0.00  0.00    +0.004 A 
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        3.969  -0.094  -0.349  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.761  -0.901   0.462  0.00  0.00    +0.122 A 
ATOM     17  N   LIG    1        6.109  -1.023   0.342  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        6.695  -0.302  -0.638  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        6.001   0.531  -1.500  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.619   0.634  -1.351  0.00  0.00    +0.014 A 
ENDBRANCH   5  15
BRANCH   3  21
ATOM     21  N   LIG    1       -0.344  -0.788   1.556  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1       -0.006  -1.241   2.403  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -1.135  -0.181   1.756  0.00  0.00    +0.145 HD
ENDBRANCH   3  21
TORSDOF 3