REMARK  Name = BDB065077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.305  -1.041  -0.397  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -1.094  -1.195  -0.960  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -0.504  -2.400  -0.834  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.109  -3.456  -0.170  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -0.454  -4.749  -0.056  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.758  -4.909  -0.596  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        1.452  -3.804  -1.305  0.00  0.00    +0.253 A 
ATOM      8  O   LIG    1        2.569  -4.025  -1.767  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -2.351  -3.192   0.367  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        0.785  -2.596  -1.398  0.00  0.00    -0.288 N 
ATOM     11  N   LIG    1       -2.967  -1.998   0.278  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -3.316   0.846  -1.662  0.00  0.00    +0.229 A 
ATOM     13  C   LIG    1       -2.905   0.278  -0.465  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -3.091   1.072   0.668  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -3.651   2.308   0.583  0.00  0.00    -0.239 NA
ATOM     16  C   LIG    1       -4.010   2.742  -0.630  0.00  0.00    +0.225 A 
ATOM     17  N   LIG    1       -3.868   2.071  -1.774  0.00  0.00    -0.201 NA
BRANCH  14  18
ATOM     18  C   LIG    1       -2.682   0.607   2.056  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -1.219   0.456   2.410  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -2.016   1.571   3.013  0.00  0.00    +0.010 C 
ENDBRANCH  14  18
BRANCH  12  22
ATOM     21  C   LIG    1       -3.583   0.756  -4.000  0.00  0.00    +0.279 C 
ATOM     22  O   LIG    1       -3.168   0.088  -2.813  0.00  0.00    -0.479 OA
ENDBRANCH  12  22
ENDBRANCH   1  13
BRANCH  10  23
ATOM     23  C   LIG    1        1.438  -1.469  -2.055  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.079  -0.506  -1.076  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        1.514   0.756  -0.846  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        2.087   1.643   0.072  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        3.240   1.276   0.777  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        3.812   0.017   0.545  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        3.236  -0.865  -0.374  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  N   LIG    1        3.838   2.153   1.724  0.00  0.00    -0.240 N 
ATOM     31  N   LIG    1        4.956   1.789   2.409  0.00  0.00    -0.175 NA
ATOM     32  C   LIG    1        5.232   2.832   3.192  0.00  0.00    +0.135 A 
ATOM     33  C   LIG    1        4.313   3.877   3.038  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        3.427   3.420   2.092  0.00  0.00    +0.114 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 6