REMARK  Name = BDB000790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148   0.181   0.044  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.752   0.240  -1.024  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.126   0.404  -0.799  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.637   0.518   0.496  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.725   0.449   1.559  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.350   0.284   1.339  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.541   0.226   1.817  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.580   0.005   0.613  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.513   0.008  -0.268  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -1.732  -0.052  -1.253  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.906  -0.255  -0.016  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -4.056  -1.169  -1.067  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -5.317  -1.384  -1.628  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.428  -0.696  -1.137  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.284   0.201  -0.079  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.027   0.418   0.486  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  N   LIG    1        4.002   0.644   0.804  0.00  0.00    -0.294 N 
ATOM     18  H   LIG    1        4.170   1.255   1.597  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        5.109   0.376   0.073  0.00  0.00    +0.163 A 
ATOM     20  S   LIG    1        5.229  -0.853  -1.143  0.00  0.00    -0.045 S 
ATOM     21  C   LIG    1        6.862  -0.469  -1.365  0.00  0.00    +0.076 A 
ATOM     22 BR   LIG    1        8.005  -1.322  -2.625  0.00  0.00    -0.041 Br
ATOM     23  C   LIG    1        7.249   0.526  -0.508  0.00  0.00    +0.136 A 
ATOM     24  N   LIG    1        6.248   0.993   0.324  0.00  0.00    -0.232 NA
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 4