REMARK  Name = BDB033497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.457  -2.275  -2.144  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -1.098  -3.118  -1.697  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.514   1.319   1.190  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.679   0.367   0.374  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.597  -0.382   0.915  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.878  -1.241   0.073  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.875  -1.808   0.830  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.143  -2.402   0.452  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.942  -1.368   2.123  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -2.191  -1.406  -1.282  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -3.230  -0.641  -1.809  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.996  -0.486   2.210  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.962   0.223  -0.999  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.370   0.199   3.408  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -2.666   0.756   4.383  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -0.198  -1.565  -3.040  0.00  0.00    +0.091 S 
ATOM     17  O   LIG    1       -0.591  -0.265  -3.539  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.345  -2.592  -3.905  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.110  -1.251  -1.923  0.00  0.00    +0.214 A 
ATOM     20  N   LIG    1        1.400  -2.086  -0.845  0.00  0.00    -0.216 NA
ATOM     21  C   LIG    1        2.445  -1.530  -0.267  0.00  0.00    +0.201 A 
ATOM     22  N   LIG    1        2.797  -0.357  -0.876  0.00  0.00    -0.335 N 
ATOM     23  C   LIG    1        1.980  -0.181  -1.955  0.00  0.00    +0.136 A 
BRANCH  22  24
ATOM     24  C   LIG    1        3.892   0.507  -0.483  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.529   1.624   0.514  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        3.038   1.079   1.856  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.519   2.619  -0.059  0.00  0.00    +0.009 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6