REMARK  Name = BDB029686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.018   1.627  -0.985  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.501   0.637  -0.009  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.951   0.175  -0.274  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.873   1.324  -0.222  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.321   2.623  -0.640  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.081   2.442  -1.547  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.218   1.164   0.054  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.873  -0.070   0.030  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        5.190  -0.288   0.300  0.00  0.00    -0.238 NA
ATOM     10  C   LIG    1        5.936   0.773   0.628  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        5.401   2.051   0.683  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        4.043   2.237   0.398  0.00  0.00    +0.028 A 
BRANCH  10  13
ATOM     13  N   LIG    1        7.294   0.632   0.907  0.00  0.00    -0.268 N 
ATOM     14  H   LIG    1        7.837   1.466   1.075  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1        8.061  -0.513   0.940  0.00  0.00    +0.247 C 
ATOM     16  O   LIG    1        9.279  -0.332   1.097  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1        7.384  -1.925   0.790  0.00  0.00    +0.206 C 
ATOM     18  O   LIG    1        8.275  -3.052   1.104  0.00  0.00    -0.367 OA
ATOM     19  C   LIG    1        8.343  -3.408  -0.295  0.00  0.00    +0.164 C 
ATOM     20  C   LIG    1        7.197  -2.466  -0.637  0.00  0.00    +0.069 C 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.070   2.469  -0.395  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.468  -1.121   0.249  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -7.001  -1.226  -1.173  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1       -7.604  -1.894  -2.006  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -5.863  -0.538  -1.508  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1       -5.559  -0.622  -2.469  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -5.147   0.248  -0.599  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.584   0.358   0.719  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1       -4.955   1.095   1.660  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -3.838   1.747   1.260  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -3.315   1.698  -0.032  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1       -4.000   0.929  -0.982  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1       -6.789  -0.357   1.123  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1       -8.473  -3.352   0.825  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.722  -1.864   0.618  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6