REMARK  Name = BDB057903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.747  -0.843  -0.878  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -3.707  -2.007  -1.603  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1       -2.436  -2.296  -1.851  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -1.685  -1.326  -1.299  0.00  0.00    -0.248 N 
ATOM      5  C   LIG    1       -2.459  -0.398  -0.672  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.234  -1.387  -1.399  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        0.387  -1.783  -0.053  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        1.867  -1.433  -0.005  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1        2.100  -0.007  -0.234  0.00  0.00    -0.301 N 
ATOM     10  C   LIG    1        3.225   0.685   0.224  0.00  0.00    +0.220 C 
ATOM     11  O   LIG    1        3.307   1.909   0.117  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        1.062   0.747  -0.936  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        0.370  -0.103  -1.993  0.00  0.00    +0.046 C 
BRANCH  10  14
ATOM     14  C   LIG    1        4.324  -0.152   0.875  0.00  0.00    +0.131 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.661   0.545   0.978  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1        6.595   0.448  -0.064  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        7.828   1.095   0.031  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.138   1.848   1.162  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.212   1.960   2.197  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.978   1.314   2.106  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     21  C   LIG    1       -7.341  -0.092  -0.215  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1       -6.205  -0.751  -0.688  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -4.962  -0.201  -0.410  0.00  0.00    +0.093 A 
ATOM     24  N   LIG    1       -4.810   0.947   0.301  0.00  0.00    -0.253 NA
ATOM     25  C   LIG    1       -5.928   1.561   0.744  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -7.204   1.088   0.516  0.00  0.00    +0.035 A 
BRANCH  21  28
ATOM     27  O   LIG    1       -8.870  -1.701  -1.138  0.00  0.00    -0.245 OA
ATOM     28  C   LIG    1       -8.666  -0.678  -0.512  0.00  0.00    +0.337 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -9.680   0.047  -0.007  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1      -10.481  -0.451  -0.276  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH   1  23
TORSDOF 6