REMARK  Name = BDB028105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.216   1.995  -0.197  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.878   1.564   0.568  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.872   0.851  -0.078  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.109   0.290   0.473  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.732  -0.399  -0.557  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.056  -0.197  -1.832  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.482   0.438   1.621  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.829   0.553  -1.437  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.756   0.964  -2.206  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.270   1.681  -1.576  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.095  -0.916  -0.496  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.125   0.220  -0.598  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.931   1.259  -1.228  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.356  -0.031  -0.037  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.043   0.705  -0.134  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.795  -1.190   0.551  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.966  -1.321   0.895  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.793  -2.315   0.664  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.371  -1.782   0.733  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.349   2.751   0.451  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        4.274   0.613   0.703  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        4.104   0.506   1.690  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        3.457   1.540   0.091  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        2.384   1.847   0.906  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.075   1.109   1.519  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        3.626   2.062  -1.002  0.00  0.00    -0.252 OA
BRANCH  21  29
ATOM     27  C   LIG    1        5.880  -0.954   2.492  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1        6.229  -0.819   1.030  0.00  0.00    -0.011 A 
ATOM     29  C   LIG    1        5.419  -0.031   0.172  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        5.754   0.075  -1.185  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        6.879  -0.566  -1.703  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        7.684  -1.329  -0.868  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.365  -1.457   0.486  0.00  0.00    +0.046 A 
ATOM     34 CL   LIG    1        8.432  -2.432   1.438  0.00  0.00    -0.083 Cl
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4