REMARK  Name = BDB021852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.504   0.294  -0.237  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.747   0.029  -0.848  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.684  -0.515   0.005  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.531  -0.301   0.976  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.947   0.291  -2.031  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.958  -1.041  -0.318  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.887  -1.292   0.727  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -4.522  -0.974   2.159  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -6.156  -1.841   0.412  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -7.194  -2.128   1.465  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.473  -2.130  -0.923  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.555  -1.891  -1.939  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.305  -1.355  -1.636  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.496   1.000  -1.413  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.742  -0.250  -1.527  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.288  -0.073  -1.961  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.525   0.938  -1.085  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.463   1.886  -0.323  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.688   2.198  -1.178  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.580   1.211  -2.383  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.109   1.141  -3.845  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.772   0.246  -2.170  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.858  -0.109   0.378  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.548   0.440  -0.860  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -0.059  -0.466   0.940  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.533   0.084   2.269  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -0.584  -0.775   3.379  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -1.016  -0.310   4.623  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.392   1.022   4.776  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.333   1.890   3.689  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.901   1.426   2.445  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7