REMARK  Name = BDB004628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.147   1.908  -0.362  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.051   1.087  -0.126  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.168  -0.325  -0.087  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.423  -0.933  -0.266  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        2.544  -2.278  -0.204  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.443  -2.998   0.043  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.214  -2.517   0.216  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.525  -0.086  -0.507  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.073  -1.185   0.137  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.384   1.317  -0.557  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.915  -0.596  -0.726  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.852   0.167  -0.940  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.131  -1.941  -0.686  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.068  -2.292  -0.821  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.370  -2.587  -0.498  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1        2.977   4.126  -0.577  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        1.876   3.245  -0.377  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1       -1.215  -0.637   0.315  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -1.431  -0.031  -0.471  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.276  -1.611   0.536  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.583  -0.869   0.705  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -3.804  -0.082   1.848  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -5.003   0.619   2.014  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1       -5.192   1.562   3.450  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -5.995   0.540   1.032  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1       -7.501   1.376   1.165  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -5.781  -0.237  -0.110  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -4.582  -0.936  -0.275  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 5