REMARK  Name = BDB000799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.747  -1.020   0.666  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.484  -0.427   0.373  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.636  -1.216   0.243  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.587  -2.606   0.402  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.340  -3.188   0.676  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.815  -2.409   0.805  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -1.873   1.084   1.193  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -0.972   1.456   1.454  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.005  -0.234   0.809  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -3.090  -0.769   0.614  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.034   1.936   1.372  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.656   2.453   0.056  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -1.774   2.770  -1.480  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -2.885   3.397  -0.775  0.00  0.00    -0.307 NA
ATOM     15  C   LIG    1       -2.457   4.588  -0.052  0.00  0.00    +0.104 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  N   LIG    1        2.692  -3.460   0.245  0.00  0.00    -0.294 N 
ATOM     17  H   LIG    1        2.679  -4.247   0.886  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.884  -3.276  -0.371  0.00  0.00    +0.163 A 
ATOM     19  S   LIG    1        4.155  -2.244  -1.736  0.00  0.00    -0.045 S 
ATOM     20  C   LIG    1        5.772  -2.738  -1.784  0.00  0.00    +0.076 A 
ATOM     21 BR   LIG    1        7.055  -2.099  -3.037  0.00  0.00    -0.041 Br
ATOM     22  C   LIG    1        6.028  -3.665  -0.809  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1        4.940  -3.982  -0.015  0.00  0.00    -0.232 NA
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6