REMARK  Name = BDB013174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.627   0.031   0.135  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.950   0.254   1.362  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.410   0.068   1.364  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.806   0.271   2.654  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.230   0.615   3.386  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.134  -0.293   0.224  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.508  -0.518  -0.901  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.341   0.607   2.569  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.865  -0.352  -0.913  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.614  -1.871   1.381  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.016  -0.721   0.501  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1        3.083   0.162  -0.059  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.582   1.208  -0.832  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        4.894   1.425  -1.088  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        5.796   0.578  -0.539  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        5.380  -0.489   0.262  0.00  0.00    +0.027 A 
BRANCH  15  17
ATOM     17  C   LIG    1        7.265   0.825  -0.790  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        8.086  -0.185  -1.560  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        7.750   1.134  -2.188  0.00  0.00    +0.010 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.502  -0.439   0.276  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.790  -0.944  -0.562  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.338   0.751   0.399  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.770   0.339   0.561  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.600   0.051  -0.518  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.316   0.040  -1.974  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.745  -0.067  -2.507  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.589  -0.633  -1.480  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.909  -0.371  -0.319  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.450  -0.532   0.941  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.639  -0.244   2.038  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.319   0.182   1.842  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.563   0.439   2.920  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5