REMARK  Name = BDB054364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.333  -1.464  -0.354  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.086   0.565  -1.123  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        0.907  -0.661  -0.517  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1        2.117  -1.122  -0.048  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        2.976  -0.173  -0.370  0.00  0.00    +0.228 A 
ATOM      6  O   LIG    1        2.411   0.887  -1.031  0.00  0.00    -0.440 OA
BRANCH   5   7
ATOM      7  C   LIG    1        4.414  -0.106  -0.122  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.050  -1.159   0.550  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        6.425  -1.125   0.802  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.196  -0.037   0.378  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        8.664   0.018   0.678  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        6.565   1.025  -0.279  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.189   0.988  -0.531  0.00  0.00    +0.013 A 
ENDBRANCH   5   7
BRANCH   2  15
ATOM     14  C   LIG    1       -0.057   1.130  -3.252  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        0.203   1.535  -1.810  0.00  0.00    +0.073 C 
ENDBRANCH   2  15
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -0.655  -1.829   1.099  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.862  -0.647   2.053  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.935   0.383   1.676  0.00  0.00    +0.008 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.392  -0.032   1.973  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.909  -1.103   1.010  0.00  0.00    +0.169 C 
ATOM     21  O   LIG    1       -5.212  -0.770   0.538  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1       -5.198   0.466  -0.190  0.00  0.00    +0.267 C 
ATOM     23  C   LIG    1       -6.652   0.890  -0.394  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1       -4.552   1.523   0.531  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1       -4.320   1.184   1.893  0.00  0.00    +0.169 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.528   0.297  -1.593  0.00  0.00    +0.365 C 
ATOM     27  O   LIG    1       -3.514   0.848  -2.000  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.148  -0.607  -2.387  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -4.606  -0.620  -3.203  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9