REMARK  Name = BDB013144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.364   0.003  -0.277  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.432  -0.869  -0.906  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.097  -0.608  -0.712  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.569  -1.529  -1.463  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.289  -2.341  -2.038  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.368   0.444   0.082  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.485   1.264   0.633  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.554  -1.925  -1.685  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.831   1.024   0.433  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.575  -0.348  -0.558  0.00  0.00    +0.214 A 
ATOM     11  N   LIG    1        6.035  -0.103   0.654  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        4.684  -0.003   0.705  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.834  -0.115  -0.397  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.440  -0.379  -1.629  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        5.827  -0.494  -1.714  0.00  0.00    +0.068 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.641  -0.328   0.536  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        7.943  -0.466  -0.696  0.00  0.00    -0.480 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -1.718   0.650   0.271  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.821   1.573   0.698  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.476  -0.296   1.090  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.887   0.189   1.258  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.770   0.327   0.191  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.559   0.119  -1.262  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -6.011   0.171  -1.738  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.799   0.893  -0.765  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.064   0.794   0.388  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.542   1.142   1.635  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.682   0.998   2.722  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.377   0.526   2.528  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.578   0.407   3.599  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5