REMARK  Name = BDB051059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.118  -1.319  -0.987  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.981  -0.858  -1.789  0.00  0.00    -0.390 OA
ATOM      3  H   LIG    1        0.555  -0.219  -2.407  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.423  -1.974   0.294  0.00  0.00    +0.045 C 
BRANCH   4   5
ATOM      5  C   LIG    1        1.382  -1.083   1.114  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        1.033  -1.163   2.603  0.00  0.00    +0.017 C 
BRANCH   5   9
ATOM      7  N   LIG    1        3.259  -1.381  -0.412  0.00  0.00    -0.315 N 
ATOM      8  H   LIG    1        2.569  -1.101  -1.113  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.844  -1.489   0.895  0.00  0.00    +0.216 C 
ATOM     10  O   LIG    1        3.584  -1.857   1.802  0.00  0.00    -0.276 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.598  -1.710  -0.842  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.609  -0.606  -0.527  0.00  0.00    +0.018 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.288   0.716  -2.690  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        5.296   0.749  -1.170  0.00  0.00    -0.002 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   5   9
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.091  -0.121  -0.771  0.00  0.00    +0.080 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.347   0.470  -2.104  0.00  0.00    -0.325 NA
ATOM     17  H   LIG    1       -1.988  -0.134  -2.625  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1       -1.846   1.354  -1.988  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  C   LIG    1       -2.393  -0.540  -0.065  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.427   0.586   0.155  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1       -2.843   1.764   0.956  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.895   2.600   1.691  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.262   2.517   1.027  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.782   1.081   0.982  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.675   0.031   0.854  0.00  0.00    +0.003 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 11