REMARK  Name = BDB001693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.419   0.664  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.376  -0.710  -0.056  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -0.899  -1.120   0.595  0.00  0.00    +0.275 C 
ATOM      4  O   LIG    1       -1.024  -1.336   1.794  0.00  0.00    -0.267 OA
ATOM      5  N   LIG    1       -1.868  -1.284  -0.383  0.00  0.00    -0.172 N 
ATOM      6  C   LIG    1       -1.476  -1.256  -1.708  0.00  0.00    +0.138 C 
ATOM      7  S   LIG    1       -2.362  -1.624  -3.072  0.00  0.00    -0.026 S 
ATOM      8  S   LIG    1        0.209  -0.732  -1.773  0.00  0.00    -0.059 S 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.307   0.686  -0.834  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        4.212   1.527  -1.058  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.952   1.171  -0.567  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.777  -0.031   0.131  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        3.876  -0.871   0.343  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        5.137  -0.519  -0.146  0.00  0.00    +0.015 A 
BRANCH   9  16
ATOM     15  O   LIG    1        7.412   0.200  -1.823  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        6.657   1.024  -1.341  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        6.974   2.324  -1.168  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        6.349   2.826  -0.613  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  N   LIG    1       -3.139  -1.772   0.009  0.00  0.00    -0.256 N 
ATOM     20  H   LIG    1       -3.033  -2.451   0.767  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.057  -0.760   0.411  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -5.074  -1.105   1.316  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -6.045  -0.176   1.699  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.032   1.107   1.159  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.057   1.453   0.227  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.086   0.522  -0.154  0.00  0.00    +0.024 A 
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5