REMARK  Name = BDB004055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266  -0.054   0.436  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.940  -0.647   0.398  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.038   0.117   0.543  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.946   1.470   0.768  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.679   1.995   0.798  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.430   1.260   0.626  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.345  -0.916   0.258  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.992  -1.854   0.137  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.560  -0.551   0.178  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        4.934  -1.784  -0.022  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.538  -1.878   0.009  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.733  -0.753   0.251  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.377   0.470   0.461  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.775   0.576   0.432  0.00  0.00    +0.015 A 
BRANCH   9  18
ATOM     15  N   LIG    1        7.626   0.719  -0.113  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        8.626   0.702  -0.268  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.109   1.488  -0.511  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        7.045  -0.495   0.133  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        7.733  -1.499   0.272  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1       -3.251  -0.568   0.501  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1       -3.080  -1.570   0.463  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.569  -0.224   0.139  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -5.637  -1.073   0.502  0.00  0.00    +0.062 A 
ATOM     24 CL   LIG    1       -5.339  -2.568   1.326  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -6.964  -0.745   0.207  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -7.253   0.444  -0.458  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.217   1.295  -0.830  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.889   0.964  -0.531  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5