REMARK  Name = BDB035864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.123   2.252  -0.766  0.00  0.00    +0.009 C 
ATOM      2  C   LIG    1        0.117   1.730  -0.718  0.00  0.00    -0.066 C 
ATOM      3  C   LIG    1        0.498   0.398  -0.093  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1        1.297  -0.473  -1.079  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1        2.470   0.267  -1.599  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        2.090   1.520  -2.282  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.298   2.450  -1.347  0.00  0.00    +0.049 C 
ENDROOT
BRANCH   1  17
ATOM      8  C   LIG    1       -6.669  -0.667   0.811  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -6.551  -0.648  -0.685  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -7.417  -1.127  -1.410  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -5.427  -0.068  -1.215  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -5.366  -0.067  -2.224  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -4.417   0.504  -0.433  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -4.529   0.499   0.957  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -3.605   1.029   1.786  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -2.522   1.586   1.192  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1       -2.317   1.635  -0.188  0.00  0.00    -0.005 A 
ATOM     18  C   LIG    1       -3.295   1.081  -1.017  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -5.706  -0.108   1.566  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1       -7.840  -2.812   1.397  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -7.905  -1.291   1.397  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   1  17
BRANCH   5  22
ATOM     22  C   LIG    1        3.669   0.168  -0.891  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.153  -1.063  -0.418  0.00  0.00    +0.134 A 
ATOM     24  N   LIG    1        5.305  -1.265   0.275  0.00  0.00    -0.249 NA
ATOM     25  C   LIG    1        6.060  -0.161   0.502  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1        5.710   1.106   0.066  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        4.511   1.258  -0.638  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.332  -0.366   1.268  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        7.586  -1.680   1.600  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        6.849  -2.344   1.373  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        8.685  -2.066   2.440  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.059   0.574   1.568  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH   5  22
TORSDOF 4