REMARK  Name = BDB058558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.931   0.280  -0.655  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.749  -0.436  -1.347  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1  13
ATOM      3  N   LIG    1        3.177   0.291  -1.463  0.00  0.00    -0.275 N 
ATOM      4  C   LIG    1        4.562   0.400  -1.289  0.00  0.00    +0.280 A 
ATOM      5  O   LIG    1        5.398   0.237  -2.174  0.00  0.00    -0.265 OA
ATOM      6  C   LIG    1        4.915   0.730   0.046  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        3.997   0.913   1.031  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1        4.659   1.235   2.224  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        6.009   1.241   1.924  0.00  0.00    +0.085 A 
ATOM     10  N   LIG    1        2.634   0.777   0.827  0.00  0.00    -0.214 NA
ATOM     11  N   LIG    1        6.154   0.930   0.589  0.00  0.00    -0.355 N 
ATOM     12  H   LIG    1        7.027   0.862   0.081  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        2.275   0.464  -0.394  0.00  0.00    +0.199 A 
BRANCH   3  14
ATOM     14  C   LIG    1        2.723   0.070  -2.830  0.00  0.00    +0.155 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.401  -1.976  -3.490  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        2.536  -1.405  -3.064  0.00  0.00    -0.013 C 
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   1  13
BRANCH   1  17
ATOM     17  C   LIG    1       -0.083   0.323   0.404  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -0.403   1.786   0.804  0.00  0.00    +0.106 C 
ATOM     19  N   LIG    1       -1.513   1.946   1.765  0.00  0.00    -0.303 NA
ATOM     20  C   LIG    1       -1.116   1.561   3.118  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -2.721   1.241   1.309  0.00  0.00    +0.092 C 
ATOM     22  C   LIG    1       -2.493  -0.239   0.926  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -1.359  -0.365  -0.103  0.00  0.00    +0.033 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.767  -0.907   0.432  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -4.282  -2.017   1.119  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.448  -2.648   0.682  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.115  -2.180  -0.447  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.617  -1.080  -1.140  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.450  -0.448  -0.705  0.00  0.00    +0.004 A 
ENDBRANCH  22  24
ENDBRANCH   1  17
TORSDOF 5