REMARK  Name = BDB056265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034  -0.927   0.354  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.733  -0.377  -0.899  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.399   0.426  -1.048  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        1.242   0.650   0.048  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.941   0.099   1.300  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.191  -0.704   1.449  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.034  -2.914   1.015  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.217  -1.798   0.534  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -3.471  -1.321   0.153  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -3.776   0.089  -0.092  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.189   0.445   0.361  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -6.264  -0.389  -0.370  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -5.743  -1.814  -0.678  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1       -4.601  -2.239   0.240  0.00  0.00    +0.108 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.600  -0.428   0.424  0.00  0.00    +0.057 C 
ATOM     16  N   LIG    1       -8.116   0.891   0.809  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1       -7.390   1.517   1.148  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -8.796   1.448  -0.356  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -9.353   0.247  -1.102  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -8.780  -0.969  -0.386  0.00  0.00    +0.020 C 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  C   LIG    1        2.417   1.536  -0.124  0.00  0.00    +0.247 C 
ATOM     22  N   LIG    1        3.664   1.103   0.343  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1        4.765   2.045   0.194  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1        5.921   1.758   1.150  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        6.369   0.286   1.209  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        5.132  -0.627   1.313  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        4.051  -0.309   0.288  0.00  0.00    +0.108 C 
ATOM     28  O   LIG    1        2.225   2.633  -0.644  0.00  0.00    -0.270 OA
BRANCH  25  29
ATOM     29  C   LIG    1        7.356  -0.192   0.118  0.00  0.00    +0.057 C 
ATOM     30  N   LIG    1        6.941  -0.030  -1.280  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1        6.718   0.950  -1.452  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        8.149  -0.339  -2.057  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1        9.312   0.184  -1.226  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        8.718   0.496   0.142  0.00  0.00    +0.020 C 
ENDBRANCH  25  29
ENDBRANCH   4  21
TORSDOF 4