REMARK  Name = BDB046963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.497  -0.538  -0.356  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -1.541  -0.363   0.535  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.387  -0.333   1.981  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -2.306   0.671   2.654  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -3.664   0.189   2.745  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -4.134   0.222   3.643  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.527  -0.051   1.712  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -4.073  -0.024   0.299  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -5.067   0.140  -0.688  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.758   0.164  -2.043  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.439   0.009  -2.460  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.420  -0.173  -1.504  0.00  0.00    +0.001 A 
ATOM     13  O   LIG    1       -5.707  -0.273   1.979  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.739  -0.182  -0.138  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -1.023  -0.379  -1.621  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        3.232  -0.140   0.071  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        1.895   0.113  -0.276  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        0.889  -0.816   0.015  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1        1.228  -2.018   0.645  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.554  -2.283   0.991  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.551  -1.348   0.706  0.00  0.00    +0.005 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.306   0.872  -0.251  0.00  0.00    +0.116 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.578   1.910  -2.010  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        4.500   0.986  -1.695  0.00  0.00    -0.315 NA
ATOM     25  H   LIG    1        4.718   0.063  -2.070  0.00  0.00    +0.122 HD
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3