REMARK  Name = BDB020557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.727   0.239  -0.881  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -1.357  -0.978  -0.995  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.047  -2.240  -1.685  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.291  -2.847  -2.137  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.428  -2.864  -1.332  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.459  -1.934  -0.114  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -3.222  -2.746   1.155  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.383  -3.612  -1.557  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.188  -3.816  -3.213  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.494  -0.854  -0.241  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.508   0.400   0.317  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.436   1.075  -0.061  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -0.671   1.149  -3.668  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        0.578   1.018  -2.837  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        0.539   0.600  -1.489  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.736   0.517  -0.722  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.969   0.820  -1.332  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.155   0.726  -0.588  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.100   0.333   0.745  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        2.936   0.039   1.362  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        2.994   1.211  -2.678  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.799   0.147   0.631  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        1.816   1.312  -3.419  0.00  0.00    +0.004 A 
BRANCH  19  24
ATOM     24  C   LIG    1        5.285   0.205   1.576  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.594   0.449   1.207  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        7.357   0.198   2.312  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.790   0.315   2.424  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.644  -0.197   3.380  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.384  -0.188   2.931  0.00  0.00    +0.144 A 
ENDBRANCH  19  24
ENDBRANCH   1  15
BRANCH  11  30
ATOM     30  C   LIG    1       -3.573   0.925   1.235  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -4.207   2.195   0.664  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -5.295   2.721   1.598  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -5.116   2.312   2.956  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -3.747   2.321   3.346  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -3.000   1.198   2.636  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3