REMARK  Name = BDB010716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.122  -1.306  -0.636  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1       -0.952  -0.808   0.072  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -1.182  -1.777   1.037  0.00  0.00    +0.185 A 
ATOM      4  N   LIG    1       -2.085  -1.667   2.021  0.00  0.00    -0.200 NA
ATOM      5  C   LIG    1       -2.741  -0.502   1.984  0.00  0.00    +0.242 A 
ATOM      6  N   LIG    1       -2.609   0.483   1.064  0.00  0.00    -0.205 NA
ATOM      7  N   LIG    1       -0.389  -2.869   0.858  0.00  0.00    -0.194 NA
ATOM      8  C   LIG    1       -1.725   0.351   0.059  0.00  0.00    +0.149 A 
ATOM      9  C   LIG    1        0.341  -2.601  -0.197  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   9  10
ATOM     10  N   LIG    1        1.262  -3.413  -0.786  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        0.804  -4.115  -2.012  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        0.005  -5.383  -1.672  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1        0.780  -6.278  -0.859  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1        1.125  -5.633   0.380  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1        1.949  -4.359   0.132  0.00  0.00    +0.136 C 
ENDBRANCH   9  10
BRANCH   5  16
ATOM     16  C   LIG    1       -3.744  -0.284   3.087  0.00  0.00    +0.375 C 
ATOM     17  O   LIG    1       -4.033  -1.063   3.981  0.00  0.00    -0.242 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.357   0.922   3.033  0.00  0.00    -0.475 OA
ATOM     19  H   LIG    1       -4.959   0.910   3.804  0.00  0.00    +0.296 HD
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   8  20
ATOM     20  N   LIG    1       -1.607   1.321  -0.922  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -1.467   0.902  -1.834  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.496   2.489  -0.991  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -2.345   3.406   0.219  0.00  0.00    +0.028 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.942   2.127  -1.351  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -5.033   1.816  -0.283  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.048   2.477  -1.238  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -4.870   3.290  -1.809  0.00  0.00    +0.005 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   8  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.946  -0.608  -1.605  0.00  0.00    +0.128 C 
BRANCH  28  32
ATOM     29  C   LIG    1        3.998   1.302   1.013  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1        4.393   0.113   0.122  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        3.175  -0.694  -0.327  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        2.150   0.189  -1.052  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        1.744   1.371  -0.162  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        2.957   2.179   0.300  0.00  0.00    +0.004 C 
BRANCH  29  36
ATOM     35  C   LIG    1        4.990   3.200   2.419  0.00  0.00    +0.004 C 
ATOM     36  C   LIG    1        5.258   2.093   1.410  0.00  0.00    -0.000 C 
ENDBRANCH  29  36
ENDBRANCH  28  32
ENDBRANCH   1  28
TORSDOF 9