REMARK  Name = BDB063788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.386  -0.723  -0.957  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -1.344  -1.401  -0.195  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -2.556  -0.772   0.076  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -2.813   0.515  -0.414  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.032   1.136  -0.133  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1       -4.236   2.063  -0.482  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.027   0.547   0.616  0.00  0.00    +0.314 A 
ATOM      8  C   LIG    1       -4.744  -0.876   1.156  0.00  0.00    +0.314 A 
ATOM      9  O   LIG    1       -5.566  -1.480   1.832  0.00  0.00    -0.262 OA
ATOM     10  O   LIG    1       -6.082   1.121   0.846  0.00  0.00    -0.262 OA
ATOM     11  C   LIG    1       -1.860   1.180  -1.185  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1       -3.521  -1.430   0.842  0.00  0.00    -0.316 N 
ATOM     13  H   LIG    1       -3.360  -2.362   1.199  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1       -0.641   0.558  -1.462  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1        1.163  -1.508  -1.322  0.00  0.00    +0.099 S 
ATOM     16  O   LIG    1        1.369  -1.436  -2.756  0.00  0.00    -0.146 OA
ATOM     17  O   LIG    1        1.230  -2.767  -0.602  0.00  0.00    -0.146 OA
BRANCH  15  21
ATOM     18  C   LIG    1        4.285   2.538  -0.627  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        3.555   1.291  -0.289  0.00  0.00    +0.062 A 
ATOM     20  N   LIG    1        2.792   0.690  -1.205  0.00  0.00    -0.155 NA
ATOM     21  N   LIG    1        2.334  -0.441  -0.588  0.00  0.00    -0.133 N 
ATOM     22  C   LIG    1        2.699  -0.482   0.752  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        2.292  -1.522   1.729  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1        3.523   0.610   0.944  0.00  0.00    +0.049 A 
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 2