REMARK  Name = BDB016080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.714   2.252   0.495  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.046   1.145   0.396  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.366   1.283   0.160  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.957   2.544   0.065  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.089   3.615   0.188  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.239   3.504   0.393  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.111   0.579   0.974  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.736   0.780   0.773  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.162   2.068   0.718  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.029   3.164   0.881  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.399   2.983   1.089  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.936   1.697   1.135  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.883  -4.264   0.190  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.999  -2.903   0.654  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.017  -2.565   1.464  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.819  -1.262   1.684  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.675  -0.760   1.020  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.170  -1.861   0.356  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.379   2.761  -0.123  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.934   3.728  -0.938  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.288   3.586  -0.830  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.300   4.365  -1.501  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.658   2.598   0.003  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.497   2.098   0.433  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.146   0.122   0.070  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -2.800   0.171  -0.711  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.461  -1.181   0.080  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -2.524  -2.280   0.309  0.00  0.00    +0.135 C 
ATOM     29  C   LIG    1       -1.885  -3.671   0.410  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -0.572  -3.797  -0.371  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -0.548  -2.904  -1.603  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -0.705  -1.423  -1.244  0.00  0.00    +0.025 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -3.462  -2.271  -0.780  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1       -4.208  -2.838  -0.517  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6