REMARK  Name = BDB031683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.185   2.046   1.659  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.115   3.041   1.452  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.985   1.236   0.806  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.609   0.087   1.304  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -2.338  -0.740   0.424  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.412  -0.379  -0.924  0.00  0.00    +0.048 A 
ATOM      7  N   LIG    1       -3.162  -1.342  -1.564  0.00  0.00    -0.359 N 
ATOM      8  H   LIG    1       -3.377  -1.341  -2.553  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.570  -2.295  -0.669  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.802   0.772  -1.435  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.076  -1.949   0.571  0.00  0.00    +0.077 A 
ATOM     12  C   LIG    1       -1.086   1.576  -0.542  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -3.288  -2.695   1.773  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1       -3.470  -3.303   2.744  0.00  0.00    -0.191 NA
ENDBRANCH  11  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.253   1.419   2.285  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        0.969   0.245   3.079  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.977   2.545   2.835  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        2.645  -0.837  -0.784  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        1.969  -0.426   0.368  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        2.125   0.887   0.826  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        2.982   1.778   0.171  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        3.664   1.359  -0.972  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.491   0.058  -1.451  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        2.310  -3.234  -1.717  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        2.464  -2.166  -1.290  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 5