REMARK  Name = BDB045487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.068  -0.189   2.137  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.381  -0.302   1.123  0.00  0.00    +0.236 C 
ATOM      3  N   LIG    1       -0.352   0.735   0.577  0.00  0.00    -0.221 N 
ATOM      4  C   LIG    1       -1.428   0.549  -0.278  0.00  0.00    +0.318 C 
ATOM      5  O   LIG    1       -2.029   1.497  -0.785  0.00  0.00    -0.252 OA
ATOM      6  N   LIG    1       -1.809  -0.768  -0.509  0.00  0.00    -0.221 N 
ATOM      7  C   LIG    1       -1.070  -1.874  -0.129  0.00  0.00    +0.236 C 
ATOM      8  O   LIG    1       -1.458  -3.035  -0.266  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        0.317  -1.595   0.365  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -0.083   2.085   1.059  0.00  0.00    +0.153 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.060   2.727   0.304  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1        0.840   3.342  -0.936  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.900   3.919  -1.638  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.189   3.886  -1.108  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.420   3.272   0.121  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.362   2.691   0.823  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   3  10
BRANCH   6  17
ATOM     17  C   LIG    1       -3.095  -0.997  -1.160  0.00  0.00    +0.153 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.236  -1.009  -0.164  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -4.934   0.171   0.134  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.970   0.165   1.070  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.316  -1.018   1.720  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.627  -2.196   1.436  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.591  -2.192   0.500  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   9  24
ATOM     24  C   LIG    1        1.251  -1.575  -0.854  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.718  -1.598  -0.500  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        3.294  -2.735   0.082  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        4.651  -2.752   0.409  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.445  -1.636   0.155  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.883  -0.503  -0.429  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.527  -0.484  -0.758  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 6