REMARK  Name = BDB051195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168   1.466  -0.468  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.662   2.361  -1.439  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.138   2.193  -2.727  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.556   3.049  -3.738  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.490   4.062  -3.511  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.030   4.227  -2.245  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.744   1.241  -3.032  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -1.118   0.411  -2.052  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1        1.625   3.382  -1.214  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.693   0.480  -0.783  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.629   1.572   0.873  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.718   2.544   1.154  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1        0.195  -0.907   5.172  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        0.207  -0.477   3.754  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -0.154  -1.330   2.789  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -0.023  -0.610   1.658  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -0.265  -1.029   0.766  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        0.412   0.673   1.868  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        0.571   0.786   3.229  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -2.285  -0.859  -2.489  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.685  -2.223  -1.515  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -0.532  -2.918  -1.896  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -0.051  -3.968  -1.111  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -0.724  -4.330   0.055  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.881  -3.651   0.432  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.365  -2.603  -0.354  0.00  0.00    +0.015 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4