REMARK  Name = BDB046051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.870   1.395   0.158  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.181   0.304  -0.307  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.367  -0.421  -1.152  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.539  -1.421  -1.195  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.026  -0.040  -1.331  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.912  -0.924  -0.438  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        3.209  -0.500  -0.202  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        4.120  -1.349   0.571  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        5.529  -1.421  -0.048  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        6.047  -0.092  -0.401  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        5.189   1.068  -0.175  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.757   0.780  -0.668  0.00  0.00    +0.127 C 
ATOM     13  O   LIG    1        1.484  -2.002  -0.013  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        7.417   0.085  -0.374  0.00  0.00    +0.221 A 
ATOM     15  N   LIG    1        8.201  -0.993  -0.437  0.00  0.00    -0.203 NA
ATOM     16  C   LIG    1        9.512  -0.762  -0.430  0.00  0.00    +0.226 A 
ATOM     17  N   LIG    1       10.098   0.426  -0.364  0.00  0.00    -0.224 NA
ATOM     18  C   LIG    1        9.232   1.429  -0.308  0.00  0.00    +0.226 A 
ATOM     19  N   LIG    1        7.904   1.324  -0.310  0.00  0.00    -0.203 NA
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.517  -0.360  -0.058  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.336   0.421   0.967  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.693  -0.129   1.121  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -4.813  -1.208   1.993  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -3.868  -1.736   2.576  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -6.071  -1.697   2.171  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -6.158  -2.504   2.769  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.178  -1.305   1.492  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -8.245  -1.901   1.602  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.024  -0.133   0.594  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -8.320   0.320  -0.017  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -8.257   1.987  -0.721  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.663   1.827  -1.550  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.557   1.554  -0.534  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -5.792   0.392   0.421  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6