REMARK  Name = BDB061919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.317  -0.770  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.302   0.608  -0.019  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.557   0.195   0.395  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.442   1.404   1.192  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -2.184   2.540   0.965  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.090  -1.185   0.178  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.222  -1.898  -0.878  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -1.109   1.996   0.295  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -0.778  -1.730  -0.635  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.573  -2.024   0.318  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.385   0.367  -0.622  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        2.089   0.189  -1.105  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        1.038  -0.110  -0.219  0.00  0.00    -0.023 A 
ATOM     14  C   LIG    1        1.338  -0.245   1.152  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        2.640  -0.062   1.623  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.665   0.248   0.733  0.00  0.00    +0.045 A 
BRANCH  11  17
ATOM     17  O   LIG    1        4.420   0.661  -1.460  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        4.088   0.666  -2.373  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  13
TORSDOF 2