REMARK  Name = BDB029590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.810  -1.020  -0.704  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.508  -0.745   0.461  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.341  -1.258   1.008  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.161  -0.875   2.319  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.202   0.634   2.455  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.001   1.125   3.021  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.172   0.919   2.355  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.217   1.647   2.946  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.517   1.609   2.440  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        4.822   0.829   1.327  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        3.780   0.099   0.748  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.448   0.122   1.240  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        6.132   0.861   0.827  0.00  0.00    -0.299 N 
ATOM     14  H   LIG    1        6.845   0.827   1.550  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.706   0.438  -0.374  0.00  0.00    +0.126 A 
ATOM     16  N   LIG    1        7.995   0.059  -0.293  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1        8.580  -0.339  -1.434  0.00  0.00    +0.223 A 
ATOM     18  N   LIG    1        8.008  -0.379  -2.643  0.00  0.00    -0.244 NA
ATOM     19  C   LIG    1        6.731   0.031  -2.686  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1        6.033   0.457  -1.579  0.00  0.00    +0.063 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1       -0.410  -2.289   0.270  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.226  -1.791  -0.947  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -0.382  -1.550  -2.083  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        0.500  -1.282  -1.741  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.086  -0.534  -0.694  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.034  -0.614   0.436  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -3.701   0.687   0.659  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -4.822   1.014  -0.306  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.483  -0.003  -1.020  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.539   0.325  -1.880  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.953   1.650  -2.014  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.313   2.656  -1.295  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.016  -1.432  -0.912  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.255   2.341  -0.443  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.066  -1.653   0.275  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7