REMARK  Name = BDB039611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.498  -0.292  -0.771  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.018  -1.537  -1.415  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.819  -2.156  -0.661  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.349  -1.253  -0.554  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.074   0.161  -0.418  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.510   0.363   0.117  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.314  -0.301   0.927  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.976   0.694   0.074  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.731   0.666  -0.476  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.418   1.780  -1.435  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.779  -0.333  -0.200  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.167  -1.340   0.691  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.440  -1.329   1.259  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.553   1.726   0.281  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.634   0.645   1.234  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        9.502   0.519   1.739  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.680  -0.295   1.554  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.975  -1.156   2.386  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.236  -1.693   0.533  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.612  -1.060   0.478  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.354  -1.067  -0.713  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.628  -0.500  -0.748  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -5.189   0.075   0.408  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -6.523   0.644   0.291  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -7.346   1.304   1.329  0.00  0.00    +0.117 C 
ATOM     26  N   LIG    1       -8.583   1.751   0.641  0.00  0.00    -0.308 NA
ATOM     27  H   LIG    1       -8.575   2.770   0.600  0.00  0.00    +0.123 HD
ATOM     28  C   LIG    1       -8.510   1.238  -0.754  0.00  0.00    +0.122 C 
ATOM     29  C   LIG    1       -7.181   0.613  -0.867  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -6.618   0.022  -2.086  0.00  0.00    +0.254 A 
ATOM     31  O   LIG    1       -7.234   0.011  -3.145  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1       -4.458   0.072   1.596  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -5.357  -0.508  -1.953  0.00  0.00    -0.322 N 
ATOM     34  H   LIG    1       -4.957  -0.918  -2.785  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.180  -0.494   1.631  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4