REMARK  Name = BDB016888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.211  -1.528  -0.202  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.964  -1.085   0.065  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.601  -1.420  -0.144  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1        0.126  -0.404   0.541  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.785   0.627   1.149  0.00  0.00    +0.163 C 
ATOM      6  O   LIG    1       -0.204  -2.390  -0.767  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -2.102   0.052   0.790  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -3.403   0.334   1.043  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1       -4.074  -0.629   0.416  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -5.554  -0.751   0.370  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.543  -0.365   0.719  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.375  -1.326   0.122  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.758  -1.231   0.334  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        4.345  -0.233   1.098  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        5.705  -0.405   1.109  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.994  -1.473   0.378  0.00  0.00    -0.065 NA
ATOM     17  C   LIG    1        3.538   0.741   1.707  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        4.090   1.855   2.546  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1        4.832  -1.973  -0.081  0.00  0.00    -0.247 N 
ATOM     20  C   LIG    1        4.843  -3.144  -0.916  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        2.140   0.645   1.499  0.00  0.00    +0.029 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1       -0.752   2.002   0.507  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -1.235   3.106   1.235  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.222   4.391   0.686  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.728   4.588  -0.600  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.709   6.169  -1.276  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.252   3.511  -1.343  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.267   2.225  -0.795  0.00  0.00    +0.007 A 
ENDBRANCH   5  22
BRANCH   1  30
ATOM     29  C   LIG    1       -3.648  -2.444  -2.445  0.00  0.00    +0.027 C 
ATOM     30  C   LIG    1       -3.554  -2.716  -0.954  0.00  0.00    +0.120 C 
ENDBRANCH   1  30
TORSDOF 3