REMARK  Name = BDB038983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.985  -3.786  -0.605  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        3.854  -2.412  -0.513  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        2.608  -1.897   0.038  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.381  -0.426  -0.195  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.365   0.397  -0.788  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.119   1.760  -1.005  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.912   2.357  -0.625  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.950   1.538  -0.024  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.323   1.757   0.469  0.00  0.00    -0.307 N 
ATOM     10  C   LIG    1       -0.809   0.547   0.929  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        0.086  -0.401   0.798  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        4.666  -0.210  -1.254  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.170   0.181   0.195  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        4.994  -1.503  -0.511  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        3.069  -4.574  -0.398  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -2.059   0.422   1.452  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1       -3.150   0.245   0.456  0.00  0.00    +0.125 C 
ATOM     18  C   LIG    1       -3.191  -1.193  -0.100  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1       -3.329  -2.183   1.011  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -2.259  -2.025   2.045  0.00  0.00    +0.128 C 
ATOM     21  C   LIG    1       -2.191  -0.570   2.551  0.00  0.00    +0.125 C 
BRANCH  19  22
ATOM     22  S   LIG    1       -3.719  -3.766   0.570  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1       -4.782  -3.701  -0.410  0.00  0.00    -0.158 OA
ATOM     24  O   LIG    1       -3.875  -4.537   1.786  0.00  0.00    -0.158 OA
ATOM     25  C   LIG    1       -2.246  -4.341  -0.258  0.00  0.00    +0.215 C 
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        5.414  -5.584  -1.063  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        5.243  -4.171  -0.953  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.048   3.028   0.509  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -0.345   4.061   1.396  0.00  0.00    +0.033 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -1.325   3.542  -0.907  0.00  0.00    +0.168 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.427   4.487  -0.948  0.00  0.00    -0.268 N 
ATOM     32  N   LIG    1       -3.690   4.034  -0.818  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1       -4.429   5.146  -0.910  0.00  0.00    +0.154 A 
ATOM     34  C   LIG    1       -3.641   6.293  -1.103  0.00  0.00    +0.078 A 
ATOM     35 CL   LIG    1       -4.194   7.882  -1.269  0.00  0.00    -0.080 Cl
ATOM     36  C   LIG    1       -2.346   5.837  -1.128  0.00  0.00    +0.128 A 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 6