REMARK  Name = BDB057630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.689   0.450  -0.391  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.321   0.769  -0.418  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.351  -0.158  -0.005  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.794  -1.421   0.416  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        0.137  -2.382   0.806  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -0.166  -3.296   1.115  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        1.485  -2.184   0.792  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        1.981  -0.848   0.333  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        3.484  -0.768   0.315  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        4.138   0.616  -0.659  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        3.004   1.882  -0.052  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.560   1.524  -0.399  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        2.252  -3.070   1.155  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.152  -1.749   0.448  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        1.108   0.129  -0.009  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.102  -0.812   0.046  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -3.376   2.603  -1.218  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -3.657   1.482  -0.837  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -4.932   1.060  -0.783  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -5.451   1.829  -1.102  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 2