REMARK  Name = BDB051202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.385  -0.808  -0.176  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.708  -2.045  -0.170  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.609  -2.007  -0.647  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.341  -3.187  -0.687  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.807  -4.404  -0.257  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.489  -4.450   0.234  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.196  -0.885  -1.062  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -0.482   0.245  -0.993  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1        1.245  -3.280   0.281  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.783   0.328  -0.570  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.739  -0.762   0.265  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        3.262  -1.524  -0.154  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1        4.347   3.742   1.722  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        4.200   2.337   1.277  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        5.282   1.576   1.068  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        4.771   0.397   0.679  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        5.417  -0.352   0.467  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        3.402   0.367   0.625  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.005   1.624   1.024  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -1.244   1.763  -1.526  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.916   1.526  -0.960  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1       -3.888   1.018  -1.827  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -5.202   0.832  -1.383  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1       -6.345   0.186  -2.508  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -5.550   1.164  -0.069  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1       -7.150   0.960   0.547  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -4.582   1.683   0.795  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -3.269   1.865   0.350  0.00  0.00    +0.016 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4