REMARK  Name = BDB064716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.657   1.332  -0.017  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -2.497   0.443   0.606  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -3.364   0.010  -0.384  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -4.342  -0.922  -0.001  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -4.362  -1.346   1.283  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -3.454  -0.834   2.143  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -3.064   0.602  -1.592  0.00  0.00    -0.217 NA
ATOM      8  N   LIG    1       -2.480   0.065   1.895  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1       -2.040   1.386  -1.332  0.00  0.00    +0.168 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1       -5.280  -1.446  -0.880  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -5.011  -1.371  -1.855  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.653  -2.330  -0.560  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   9  13
ATOM     13  S   LIG    1       -1.272   2.373  -2.524  0.00  0.00    -0.105 S 
ATOM     14  H   LIG    1       -2.055   2.006  -3.549  0.00  0.00    +0.110 HD
ENDBRANCH   9  13
BRANCH   1  15
ATOM     15  C   LIG    1       -0.592   2.049   0.659  0.00  0.00    +0.167 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.656   1.191   0.846  0.00  0.00    +0.250 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.296   1.032  -0.422  0.00  0.00    -0.490 OA
BRANCH  17  21
ATOM     18  C   LIG    1        4.706  -1.322  -0.864  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.085  -0.707  -1.953  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        2.943   0.074  -1.753  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.410   0.245  -0.472  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.033  -0.368   0.615  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.177  -1.151   0.420  0.00  0.00    +0.022 A 
BRANCH  18  25
ATOM     24  N   LIG    1        6.828  -2.773  -1.214  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        5.878  -2.124  -1.060  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7