REMARK  Name = BDB008762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.075   0.156   1.092  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.126  -0.302   0.265  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        1.015   0.406   0.161  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.263   1.580   0.850  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.279   2.067   1.712  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -0.910   1.330   1.825  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.478   3.310   2.468  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.306   3.369   3.853  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1        0.461   4.484   4.607  0.00  0.00    -0.263 NA
ATOM     10  C   LIG    1        0.817   5.609   3.955  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        1.022   5.670   2.588  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.849   4.506   1.840  0.00  0.00    +0.011 A 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  C   LIG    1       -2.616  -1.732   0.639  0.00  0.00    +0.235 C 
ATOM     14  N   LIG    1       -2.292  -0.526   1.239  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1       -2.967  -0.114   1.864  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1       -1.862  -2.434  -0.031  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.068  -2.193   0.965  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.118  -1.148   0.587  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -4.630  -3.519  -1.043  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -4.340  -3.534   0.388  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -3.480  -4.081   0.511  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   3  22
ATOM     22  C   LIG    1        1.982  -0.144  -0.733  0.00  0.00    -0.041 C 
ATOM     23  C   LIG    1        2.790  -0.617  -1.487  0.00  0.00    -0.060 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.735  -1.198  -2.389  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.961  -0.570  -2.624  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        5.880  -1.142  -3.505  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.575  -2.340  -4.152  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.352  -2.968  -3.918  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.432  -2.397  -3.037  0.00  0.00    +0.017 A 
ENDBRANCH  23  24
ENDBRANCH   3  22
TORSDOF 6