REMARK  Name = BDB018213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.084  -0.891   1.092  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        0.780  -0.512   2.353  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.466  -0.042   2.250  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.975  -0.124   0.934  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.053  -0.689   0.211  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.257   0.284   0.435  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.974   1.269   1.013  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -4.213   1.675   0.539  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -4.899   2.756   1.228  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -4.810   1.096  -0.577  0.00  0.00    +0.251 A 
ATOM     11  O   LIG    1       -5.897   1.416  -1.047  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -4.037   0.004  -1.220  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -2.844  -0.362  -0.733  0.00  0.00    +0.015 A 
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  C   LIG    1        2.260  -3.002   0.623  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        2.397  -1.488   0.811  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.104  -0.736  -0.310  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1        3.259  -1.257  -1.604  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        3.909  -0.520  -2.598  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.410   0.748  -2.315  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.263   1.284  -1.039  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.615   0.548  -0.045  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3