REMARK  Name = BDB062613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.659  -2.359  -0.767  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.405  -2.441   0.471  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.405  -3.542  -1.562  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -4.800   1.083   2.402  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -5.394   0.824   1.048  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -4.679   0.109   0.112  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -3.368  -0.402   0.102  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.144  -1.086  -1.101  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -1.929  -1.693  -1.391  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -0.908  -1.589  -0.445  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -1.116  -0.915   0.768  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.366  -1.101  -1.963  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.352  -0.313   1.041  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.302  -0.172  -1.191  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -6.526   1.253   0.798  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.406  -1.251  -1.804  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        1.943  -1.735  -2.523  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.988  -0.090  -1.226  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.278  -0.141  -0.698  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.844   0.993  -0.096  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        3.083   2.171  -0.032  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.789   2.216  -0.558  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.240   1.083  -1.153  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.193   0.917   0.479  0.00  0.00    +0.019 A 
ATOM     25  S   LIG    1        6.349   2.147   0.159  0.00  0.00    -0.097 S 
ATOM     26  C   LIG    1        7.548   1.362   1.089  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.091   0.183   1.631  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        5.735  -0.076   1.276  0.00  0.00    +0.016 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4