REMARK  Name = BDB023939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.395  -0.045  -1.107  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -2.344   0.990  -0.917  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.451   2.332  -1.552  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -3.521   3.126  -0.917  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.714   2.399  -0.431  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -4.367   1.273   0.567  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -3.526   4.481  -1.224  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -2.655   5.006  -1.919  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -4.649   5.316  -0.663  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -3.217   0.505   0.035  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.779  -0.744   0.368  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.678  -1.098  -0.326  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        3.742  -0.363  -0.596  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        2.726  -0.373   0.289  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        1.453  -0.283  -0.175  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        1.087  -0.166  -1.521  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.156  -0.146  -2.435  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        1.891  -0.023  -3.810  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        0.584   0.078  -4.283  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -0.480   0.062  -3.386  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -0.245  -0.055  -2.008  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.475  -0.244  -1.958  0.00  0.00    +0.052 A 
BRANCH  13  25
ATOM     23  C   LIG    1        6.639  -1.384   1.361  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        5.244  -0.730   1.311  0.00  0.00    +0.138 C 
ATOM     25  N   LIG    1        5.023  -0.445  -0.109  0.00  0.00    -0.313 N 
ATOM     26  C   LIG    1        6.194  -0.768  -0.904  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        7.320  -0.812   0.120  0.00  0.00    +0.052 C 
BRANCH  23  29
ATOM     28  C   LIG    1        8.527  -1.782   2.742  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        7.324  -1.047   2.564  0.00  0.00    -0.378 OA
ENDBRANCH  23  29
ENDBRANCH  13  25
ENDBRANCH   1  21
BRANCH  11  30
ATOM     30  C   LIG    1       -3.322  -1.699   1.326  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.403  -1.145   2.748  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.883  -2.228   3.710  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.745  -3.191   3.101  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.544  -2.655   2.054  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.662  -2.291   0.867  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4