REMARK  Name = BDB016162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.209  -0.194  -1.466  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -1.540   0.887  -0.836  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.146   1.025  -0.968  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.619   0.099  -1.693  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.047  -0.958  -2.317  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.435  -1.093  -2.212  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.087   0.246  -1.790  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.947   0.122  -0.645  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.328  -0.172   0.590  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1        1.468  -0.697   0.431  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1        3.110  -0.730   1.682  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.978   0.362   2.264  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.278   0.417   1.534  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.324   0.434   0.179  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        6.279   0.557  -0.138  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.343   0.500   2.155  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.134  -1.244   2.747  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        4.328   0.388  -0.819  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.828   0.639  -2.113  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.994   0.698  -3.224  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.631   0.518  -3.059  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   2  22
ATOM     22  C   LIG    1       -2.280   1.882   0.006  0.00  0.00    +0.044 C 
ATOM     23  N   LIG    1       -3.575   1.973   0.002  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1       -3.879   2.727   0.627  0.00  0.00    +0.186 HD
BRANCH  22  25
ATOM     25  C   LIG    1       -1.538   2.820   0.896  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -0.711   2.287   2.046  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -1.979   3.029   2.330  0.00  0.00    +0.010 C 
ENDBRANCH  22  25
ENDBRANCH   2  22
BRANCH   1  28
ATOM     28  N   LIG    1       -3.602  -0.336  -1.390  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1       -3.974   0.474  -0.861  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.279  -1.573  -0.976  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -4.527  -2.500  -2.164  0.00  0.00    +0.028 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -3.623  -1.515   1.495  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -3.613  -2.310   0.196  0.00  0.00    +0.018 C 
ENDBRANCH  30  33
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 6