REMARK  Name = BDB049615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551   0.500  -0.226  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.465   1.455   0.009  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.912   2.614   0.388  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.567   2.877   0.563  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.367   4.180   0.976  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.576   4.698   1.036  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1        0.324   1.820   0.315  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -2.544   3.790   0.689  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.218   0.637  -0.080  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.980   4.023   0.643  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -4.538   4.367   2.025  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.344   5.093  -0.386  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.072  -0.720  -0.630  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -3.022  -0.767  -0.273  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -1.278  -1.919  -0.339  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.153  -4.392  -1.013  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -1.903  -3.075  -1.148  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -1.258  -2.200   1.180  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.579  -2.442   1.671  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -2.504  -2.522   2.637  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.701   2.009   0.508  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        1.901   2.960   0.804  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.816   1.178   0.330  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.752  -0.106  -0.227  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.884  -0.943  -0.349  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.115  -0.436   0.098  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        5.206   0.839   0.656  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.065   1.631   0.775  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  C   LIG    1        3.760  -2.295  -0.934  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        2.831  -2.436  -1.914  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        2.690  -3.649  -2.491  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        3.426  -4.762  -2.130  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        4.365  -4.621  -1.118  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        4.536  -3.377  -0.512  0.00  0.00    +0.028 A 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 9