REMARK  Name = BDB049280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.432  -0.634  -0.079  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.055  -0.346   1.258  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.268  -0.537   1.590  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.382  -0.263   2.928  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.757   0.143   3.448  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        1.234  -0.973   0.665  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.876  -1.263  -0.558  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -1.662   0.083   2.416  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -0.451  -1.076  -0.898  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.385  -0.140  -1.646  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.675   0.964  -1.176  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.385   0.801  -0.667  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.793  -0.469  -0.626  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -3.517  -1.573  -1.097  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.807  -1.408  -1.606  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1        2.551  -1.122   1.040  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        3.025  -1.643   0.302  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.364   0.063   1.328  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.939   0.737   0.130  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        5.291   0.926   0.126  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        5.602   1.548  -1.040  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        4.470   1.762  -1.789  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        3.393   1.239  -1.034  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4