REMARK  Name = BDB056869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.660   5.513  -0.695  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.331   4.174  -0.859  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.645   3.054  -0.408  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.375   1.774  -0.492  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.436   0.627  -0.351  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.660  -0.768  -0.460  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.468  -1.454  -0.224  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.408  -0.518   0.023  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.900   0.748  -0.027  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.581   2.046   0.196  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.514   3.117   0.509  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.441   4.102  -1.387  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.927  -1.388  -0.761  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.664  -2.200   0.243  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -3.967  -2.788  -0.146  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -4.654  -3.521   0.747  0.00  0.00    +0.094 A 
ATOM     17  N   LIG    1       -4.167  -3.726   2.011  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1       -4.690  -4.279   2.678  0.00  0.00    +0.168 HD
ATOM     19  C   LIG    1       -2.975  -3.221   2.463  0.00  0.00    +0.249 A 
ATOM     20  O   LIG    1       -2.568  -3.411   3.603  0.00  0.00    -0.268 OA
ATOM     21  C   LIG    1       -4.479  -2.563  -1.491  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.765  -1.825  -2.357  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.201  -2.414   1.491  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1       -2.487  -1.239  -1.986  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1        2.762  -0.969   0.321  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        3.128  -0.783   1.800  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.623  -0.560   1.979  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1        5.346  -1.369   1.060  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.189  -0.964  -0.300  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1        3.819  -0.365  -0.604  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 2