REMARK  Name = BDB003688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.865  -0.912   1.337  0.00  0.00    +0.145 A 
ATOM      2  C   LIG    1        3.939  -0.289   0.665  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        3.678   0.397  -0.544  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        4.747   1.011  -1.228  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        6.050   0.958  -0.731  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        6.308   0.287   0.458  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.354   0.436  -1.022  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1        1.278  -0.157  -0.340  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1        5.264  -0.330   1.148  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.552  -0.855   0.842  0.00  0.00    +0.112 A 
ATOM     11 CL   LIG    1        0.297  -1.665   1.722  0.00  0.00    -0.077 Cl
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        3.133  -1.591   2.507  0.00  0.00    -0.505 OA
ATOM     13  H   LIG    1        2.295  -1.980   2.820  0.00  0.00    +0.292 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1        2.077   1.073  -2.215  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1        1.140   0.852  -2.396  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
BRANCH   8  16
ATOM     16  N   LIG    1       -0.007  -0.034  -0.930  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -0.852   0.729  -0.306  0.00  0.00    +0.099 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.242   0.970  -0.853  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.236   0.415   0.079  0.00  0.00    -0.293 NA
ATOM     20  C   LIG    1       -3.288  -1.065  -0.016  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -4.386  -1.643   0.892  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -5.672  -1.105   0.555  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -5.654   0.323   0.676  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -4.583   0.943  -0.236  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  16
TORSDOF 5