REMARK  Name = BDB007781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575   1.307   0.141  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1        0.310   2.174  -0.458  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.456   2.094  -1.457  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.977   1.388   1.292  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        0.983  -1.191  -0.193  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -0.315  -0.948  -0.903  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -1.048   0.223  -0.729  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -2.264   0.388  -1.399  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -2.748  -0.617  -2.237  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.913  -1.724  -2.395  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -0.732  -1.921  -1.750  0.00  0.00    -0.258 NA
BRANCH   9  12
ATOM     12  N   LIG    1       -3.926  -0.393  -2.945  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1       -4.564   0.254  -2.478  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.680  -1.501  -3.552  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -5.874  -0.930  -4.330  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -6.848  -0.626  -3.273  0.00  0.00    -0.314 NA
ATOM     17  H   LIG    1       -7.785  -0.526  -3.660  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -6.780  -1.759  -2.349  0.00  0.00    +0.083 C 
ATOM     19  C   LIG    1       -5.376  -2.347  -2.486  0.00  0.00    +0.038 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        0.765   3.391   0.195  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.480   3.201   1.543  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.049   4.458   1.948  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.693   4.213   2.644  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.619   2.161   1.459  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.387   2.073   2.730  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.695   1.428   2.487  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        4.559  -0.039   2.155  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.706  -0.807   2.963  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        3.549  -2.172   2.716  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.226  -2.764   1.650  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.071  -2.001   0.842  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.031  -0.108   4.112  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.244  -0.640   1.096  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        2.619   1.344   3.774  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8