REMARK  Name = BDB049200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.337  -0.215  -3.282  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.725  -0.933  -2.070  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -1.926  -0.328  -1.467  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.162  -0.825  -0.025  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.982  -0.460   0.900  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.315  -0.178   0.121  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        0.399  -1.081  -1.130  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.489  -0.348   0.542  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -4.441  -1.285   0.969  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.667  -0.868   1.493  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.955   0.490   1.599  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.019   1.433   1.182  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.793   1.018   0.657  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.460  -0.384   1.010  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1        1.415  -1.256   1.542  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.780   0.012   0.788  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        3.876  -0.556   1.318  0.00  0.00    +0.129 A 
ATOM     18 CL   LIG    1        3.734  -1.925   2.375  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        5.256  -0.074   1.022  0.00  0.00    +0.287 A 
ATOM     20  O   LIG    1        6.239  -0.597   1.546  0.00  0.00    -0.265 OA
ATOM     21  N   LIG    1        5.341   0.979   0.118  0.00  0.00    -0.231 N 
ATOM     22  C   LIG    1        6.635   1.543  -0.218  0.00  0.00    +0.176 C 
ATOM     23  N   LIG    1        4.252   1.633  -0.399  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1        3.085   1.180  -0.078  0.00  0.00    +0.157 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3