REMARK  Name = BDB049282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.885  -0.200  -0.417  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -1.166   0.914   0.100  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        0.207   0.962   0.303  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.534   2.130   0.821  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.608   2.879   0.943  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.988  -0.179  -0.056  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.326  -1.247  -0.555  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -1.605   2.155   0.493  0.00  0.00    +0.231 A 
ATOM      9  C   LIG    1       -1.126  -1.277  -0.758  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.458  -0.274   0.122  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        3.292  -0.722  -0.912  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.676  -0.803  -0.729  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.260  -0.424   0.487  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        4.430   0.030   1.519  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.045   0.108   1.337  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.759  -0.520   0.687  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1        7.537   0.208  -0.332  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1        8.956  -0.132  -0.214  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        7.362   1.658  -0.202  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -3.274  -0.045  -0.519  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.657   0.567   0.203  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.277  -1.045  -0.873  0.00  0.00    +0.142 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.310  -0.148   0.373  0.00  0.00    +0.125 A 
ATOM     24  C   LIG    1       -5.650  -0.407  -0.845  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.267  -0.044  -2.054  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -7.528   0.549  -2.057  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -8.182   0.792  -0.853  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.575   0.449   0.358  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.307  -0.363   2.748  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.622  -0.491   1.508  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   9  31
ATOM     31  C   LIG    1       -1.657  -2.483  -1.302  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -2.070  -3.475  -1.742  0.00  0.00    -0.191 NA
ENDBRANCH   9  31
TORSDOF 8