REMARK  Name = BDB007837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.084   0.292   0.350  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.787  -0.982   0.067  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.519  -1.358   0.057  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        0.823  -2.786  -0.263  0.00  0.00    +0.163 C 
ATOM      5  N   LIG    1        2.067  -3.201   0.330  0.00  0.00    -0.293 N 
ATOM      6  H   LIG    1        2.309  -4.182   0.283  0.00  0.00    +0.151 HD
ATOM      7  C   LIG    1        3.169  -2.387   0.314  0.00  0.00    +0.311 C 
ATOM      8  N   LIG    1        2.927  -1.007   0.245  0.00  0.00    -0.223 N 
ATOM      9  O   LIG    1        4.273  -2.929   0.359  0.00  0.00    -0.252 OA
ATOM     10  C   LIG    1        1.587  -0.492   0.277  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        1.250   0.826   0.597  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -0.091   1.223   0.628  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.027  -0.092   0.168  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        4.016   0.975  -0.749  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.099   1.856  -0.840  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        6.212   1.672  -0.024  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        7.542   2.756  -0.134  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        6.253   0.611   0.875  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        5.169  -0.270   0.963  0.00  0.00    +0.025 A 
ENDBRANCH   8  13
BRANCH   1  21
ATOM     20  C   LIG    1       -3.530  -0.055   0.123  0.00  0.00    +0.235 C 
ATOM     21  N   LIG    1       -2.413   0.732   0.384  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1       -2.563   1.701   0.619  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1       -3.518  -1.245  -0.178  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.844   0.760   0.279  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -5.200   0.835   1.763  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.792   0.236  -1.905  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -5.978   0.174  -0.462  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -6.841   0.654  -0.213  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 4