REMARK  Name = BDB032960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.760   0.265  -0.538  0.00  0.00    +0.123 C 
ATOM      2  N   LIG    1        0.357  -0.710  -1.542  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1       -0.914  -1.196  -1.685  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.885  -2.002  -2.802  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.432  -1.895  -3.284  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1       -1.998  -0.833  -0.735  0.00  0.00    +0.140 C 
ATOM      7  N   LIG    1       -1.702   0.448  -0.063  0.00  0.00    -0.291 NA
ATOM      8  N   LIG    1        1.186  -1.085  -2.536  0.00  0.00    -0.179 NA
ATOM      9  C   LIG    1       -0.352   0.394   0.532  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        2.093  -0.043   0.168  0.00  0.00    +0.047 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.312  -0.033  -0.754  0.00  0.00    +0.106 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.076  -0.654   0.873  0.00  0.00    +0.216 C 
ATOM     13  N   LIG    1        4.548   0.237  -0.036  0.00  0.00    -0.315 N 
ATOM     14  H   LIG    1        5.161   0.939  -0.427  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        4.493  -1.670   1.239  0.00  0.00    -0.276 OA
BRANCH  12  17
ATOM     16  C   LIG    1        6.426   1.060   2.134  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        6.452  -0.287   1.419  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        7.508  -0.316   0.318  0.00  0.00    +0.017 C 
ENDBRANCH  12  17
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  C   LIG    1       -2.706   0.734   0.980  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.094   0.991   0.428  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -5.219   0.185   0.738  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.461   0.503   0.183  0.00  0.00    +0.047 A 
ATOM     23  N   LIG    1       -7.365  -0.430   0.640  0.00  0.00    -0.361 N 
ATOM     24  H   LIG    1       -8.346  -0.441   0.396  0.00  0.00    +0.165 HD
ATOM     25  C   LIG    1       -6.745  -1.330   1.463  0.00  0.00    +0.083 A 
ATOM     26  C   LIG    1       -6.656   1.591  -0.673  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -5.547   2.380  -0.976  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.418  -0.976   1.542  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -4.295   2.089  -0.439  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 6