REMARK  Name = BDB060413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.847   1.764  -2.094  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.203   2.422  -2.368  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.143   3.053  -3.662  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1       -1.818   2.373  -4.283  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1       -3.423   1.467  -2.362  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1       -3.808   0.733  -1.151  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -3.893   1.567   0.053  0.00  0.00    +0.121 C 
ATOM      8  C   LIG    1       -4.311   0.791   1.278  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -4.209  -0.606   1.333  0.00  0.00    -0.039 A 
ATOM     10  C   LIG    1       -4.584  -1.269   2.503  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.017  -0.512   3.580  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -5.105   0.835   3.568  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -3.765  -1.377   0.116  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -4.751   1.453   2.419  0.00  0.00    +0.115 A 
ATOM     15  C   LIG    1       -3.038  -0.489  -0.906  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.680   0.666  -2.999  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.381  -0.165  -2.766  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        1.438   0.086  -1.891  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        2.471  -0.854  -1.723  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.433  -2.046  -2.457  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.385  -2.294  -3.343  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        0.365  -1.354  -3.497  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1        3.611  -0.568  -0.772  0.00  0.00    +0.116 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.116  -0.393   0.593  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1        2.639  -1.247   0.880  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.179  -0.068   1.535  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1        3.612   0.232   2.922  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        4.834   0.165   3.833  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        5.806  -0.802   3.155  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.152  -1.208   1.837  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9