REMARK  Name = BDB029578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.048  -0.164   0.469  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.704  -0.479   0.720  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.654   0.465   0.595  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.307  -0.082   0.935  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1        0.295   0.720   1.446  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1        0.329   2.175   1.392  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1        0.759   2.653   0.017  0.00  0.00    +0.248 C 
ATOM      8  O   LIG    1        2.165   2.835  -0.037  0.00  0.00    -0.490 OA
ATOM      9  O   LIG    1        1.111  -1.290   0.777  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.974   1.760   0.179  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        4.318   2.079  -0.072  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.337   1.133   0.064  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        6.018  -1.183   0.580  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        5.720  -1.902   1.236  0.00  0.00    +0.152 HD
BRANCH  13  19
ATOM     15  C   LIG    1       10.047  -0.813  -2.164  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        9.072  -1.171  -1.163  0.00  0.00    -0.273 N 
ATOM     17  N   LIG    1        9.375  -2.115  -0.252  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        8.261  -2.203   0.481  0.00  0.00    +0.157 A 
ATOM     19  C   LIG    1        7.260  -1.303   0.055  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        7.812  -0.661  -1.026  0.00  0.00    +0.131 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -0.956   0.088   1.902  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.946  -0.163   0.742  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.527  -1.299  -0.031  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -0.560  -1.416   0.096  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.369  -0.431   1.293  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.473  -0.092   0.363  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.767  -0.287   1.053  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.976  -0.105   0.161  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.865  -0.226  -1.233  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.005  -0.089  -2.038  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.252   0.141  -1.459  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.369   0.242  -0.075  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.513  -0.435  -1.862  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.238   0.117   0.732  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.448  -0.910  -0.862  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7