REMARK  Name = BDB000789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.970   0.010  -0.050  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        2.514  -1.306  -0.021  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.144  -1.588  -0.082  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.189  -0.562  -0.135  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.654   0.754  -0.096  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.026   1.036  -0.037  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        4.327   0.294   0.129  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        4.603   1.212  -0.206  0.00  0.00    +0.142 HD
ATOM      9  H   LIG    1        4.948  -0.439  -0.198  0.00  0.00    +0.142 HD
ENDBRANCH   1   7
BRANCH   4  10
ATOM     10  N   LIG    1       -1.170  -0.928  -0.158  0.00  0.00    -0.294 N 
ATOM     11  H   LIG    1       -1.344  -1.741  -0.738  0.00  0.00    +0.154 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.284  -0.223   0.147  0.00  0.00    +0.163 A 
ATOM     13  S   LIG    1       -2.380   1.025   1.345  0.00  0.00    -0.045 S 
ATOM     14  C   LIG    1       -4.037   1.184   1.042  0.00  0.00    +0.076 A 
ATOM     15 BR   LIG    1       -5.175   2.434   1.917  0.00  0.00    -0.041 Br
ATOM     16  C   LIG    1       -4.447   0.287   0.093  0.00  0.00    +0.136 A 
ATOM     17  N   LIG    1       -3.445  -0.528  -0.402  0.00  0.00    -0.232 NA
ENDBRANCH  10  12
ENDBRANCH   4  10
TORSDOF 3