REMARK  Name = BDB028004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.958  -0.486  -0.576  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        1.887   0.254   0.173  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.259  -0.048   0.181  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        3.745  -1.115  -0.564  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        2.846  -1.862  -1.319  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.479  -1.553  -1.321  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.623   0.598  -0.650  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1       -3.255   0.437  -0.602  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.504   0.334   0.649  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -1.004   0.636   0.484  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1       -0.394  -0.183  -0.577  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -1.266  -0.614  -1.686  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -2.493   0.302  -1.840  0.00  0.00    +0.130 C 
ATOM     14  O   LIG    1       -5.256   0.693  -1.694  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1       -5.172   0.631   0.591  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.092   2.132   0.228  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -6.603   0.786   0.773  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -7.373  -0.393   0.170  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -6.803   0.773   2.296  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  O   LIG    1        5.044  -1.520  -0.661  0.00  0.00    -0.480 OA
BRANCH  20  21
ATOM     21  C   LIG    1        6.012  -0.957   0.219  0.00  0.00    +0.259 C 
ATOM     22  C   LIG    1        7.107  -2.002   0.474  0.00  0.00    +0.260 C 
ATOM     23  O   LIG    1        6.929  -3.217   0.419  0.00  0.00    -0.271 OA
ATOM     24  N   LIG    1        8.344  -1.508   0.824  0.00  0.00    -0.253 N 
ATOM     25  H   LIG    1        9.058  -2.202   0.999  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        8.773  -0.205   0.782  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1        9.938   0.089   1.031  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        7.726   0.836   0.472  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1        6.644   0.271  -0.431  0.00  0.00    +0.063 C 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5