REMARK  Name = BDB021901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.012  -1.444   0.043  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -1.744  -0.267   0.245  0.00  0.00    +0.306 C 
ATOM      3  N   LIG    1       -3.097  -0.411   0.005  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.309  -1.126  -0.666  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.220   0.795   0.562  0.00  0.00    -0.252 OA
ATOM      6  C   LIG    1       -1.628  -2.770   0.048  0.00  0.00    +0.134 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.132   0.515   0.301  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -5.418   0.361  -0.307  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -6.435   1.285   0.033  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -7.692   1.142  -0.561  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -8.023   0.178  -1.448  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -7.050  -0.692  -1.766  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -6.188   2.320   0.946  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -4.938   2.450   1.539  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.767  -0.646  -1.238  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -3.922   1.551   1.223  0.00  0.00    +0.024 A 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  C   LIG    1        0.879  -0.441   2.358  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        1.160  -1.580   1.374  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        0.468  -1.434  -0.001  0.00  0.00    +0.082 C 
ATOM     20  C   LIG    1        1.098  -0.309  -0.835  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        2.611  -0.513  -0.952  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        3.247  -0.623   0.371  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        2.677  -1.737   1.143  0.00  0.00    +0.089 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.709  -0.775   0.258  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.413   0.460  -0.264  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        5.199   1.712   0.334  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.863   2.846  -0.134  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.754   2.742  -1.200  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.982   1.504  -1.798  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.318   0.368  -1.332  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  19
TORSDOF 4