REMARK  Name = BDB055855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.885  -1.655  -0.950  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1       -0.338  -1.139  -0.653  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.426  -1.926  -0.826  0.00  0.00    +0.163 A 
ATOM      4  N   LIG    1       -2.692  -1.454  -0.458  0.00  0.00    -0.303 N 
ATOM      5  C   LIG    1       -3.828  -2.103  -1.133  0.00  0.00    +0.202 C 
ATOM      6  C   LIG    1       -3.651  -3.607  -1.364  0.00  0.00    +0.236 C 
ATOM      7  N   LIG    1       -2.370  -4.063  -1.489  0.00  0.00    -0.266 N 
ATOM      8  H   LIG    1       -2.209  -5.027  -1.738  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1       -4.607  -4.366  -1.517  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -1.261  -3.245  -1.303  0.00  0.00    +0.165 A 
ATOM     11  N   LIG    1       -0.062  -3.792  -1.589  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        0.997  -2.970  -1.400  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.130   1.036  -0.260  0.00  0.00    +0.072 A 
ATOM     14  N   LIG    1        2.953   1.212   0.384  0.00  0.00    -0.256 NA
ATOM     15  C   LIG    1        1.950   0.331   0.126  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        2.031  -0.754  -0.747  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.259  -0.902  -1.404  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.309  -0.011  -1.163  0.00  0.00    +0.027 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.058   2.832   1.294  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        5.263   2.030   0.002  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        5.413   2.987  -1.183  0.00  0.00    +0.048 C 
BRANCH  20  22
ATOM     22  O   LIG    1        6.503   1.317   0.147  0.00  0.00    -0.383 OA
ATOM     23  H   LIG    1        6.373   0.690   0.881  0.00  0.00    +0.211 HD
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH   4  24
ATOM     24  C   LIG    1       -2.822  -0.021  -0.175  0.00  0.00    +0.110 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.452   0.298   1.292  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -2.511   1.815   1.550  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -3.839   2.261   2.160  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1       -4.898   1.426   1.708  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.804   0.098   2.230  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -3.367  -0.417   2.294  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 5