REMARK  Name = BDB029639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.607  -0.619  -1.216  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.020   0.419  -0.337  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.363   0.963  -0.770  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.341  -0.128  -0.918  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.794  -1.463  -1.212  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.553  -1.343  -1.962  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.702   0.104  -0.826  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.276   1.377  -0.942  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        4.599   1.671  -0.863  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        5.439   0.633  -0.652  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        4.996  -0.675  -0.521  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.623  -0.927  -0.607  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.903   0.963  -0.577  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1        7.660   0.166   0.267  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        7.180  -0.339   1.003  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        7.385   1.889  -1.221  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        9.039   0.513   0.569  0.00  0.00    +0.132 C 
BRANCH  17  18
ATOM     18  C   LIG    1        9.785  -0.677   1.167  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1        9.112  -1.097   2.361  0.00  0.00    -0.381 OA
ATOM     20  C   LIG    1        9.777  -2.197   2.970  0.00  0.00    +0.194 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.606  -0.079  -2.150  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -8.190   0.823   1.090  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -7.618  -0.501   1.504  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1       -8.182  -1.224   2.318  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -6.429  -0.874   0.930  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1       -6.056  -1.768   1.218  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -5.744  -0.081   0.003  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -6.265   1.154  -0.376  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1       -5.674   1.978  -1.267  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -4.507   1.545  -1.798  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -3.893   0.333  -1.478  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1       -4.544  -0.499  -0.558  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1       -7.526   1.594   0.210  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1      -10.688   0.555   1.090  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -9.487   1.242   1.725  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 8