REMARK  Name = BDB049285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.281  -1.877  -0.385  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.601  -2.160   0.809  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.370  -1.638   1.125  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        0.002  -2.085   2.310  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.993  -2.920   2.776  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.233  -0.773   0.172  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.468  -0.572  -0.966  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.938  -2.958   1.864  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.709  -1.097  -1.263  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.561  -0.135   0.328  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -1.745   1.235   0.087  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -3.004   1.826   0.241  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.105   1.061   0.643  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -3.919  -0.304   0.899  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.662  -0.895   0.746  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.466   1.699   0.830  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.519   1.091  -0.004  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -7.833   1.580   0.415  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -6.310   1.376  -1.425  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.525  -2.438  -0.597  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.028  -2.784   0.210  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.431  -1.920  -1.615  0.00  0.00    +0.147 C 
BRANCH  22  26
ATOM     23  C   LIG    1        7.103   2.303   0.278  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1        6.726   0.934  -0.175  0.00  0.00    -0.013 A 
ATOM     25  S   LIG    1        5.153   0.640  -0.777  0.00  0.00    -0.097 S 
ATOM     26  C   LIG    1        5.491  -1.016  -1.055  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.785  -1.334  -0.693  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.497  -0.209  -0.186  0.00  0.00    +0.011 A 
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6