REMARK  Name = BDB034982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.155   2.507   0.966  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.593   1.212   0.341  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.646   0.254  -0.020  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.147  -0.927  -0.603  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.216  -1.884  -0.970  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.148  -1.678  -0.768  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.556  -0.487  -0.186  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -2.453  -1.170  -0.818  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.341  -0.233  -0.461  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        0.672   0.469   0.189  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1       -2.954   0.966   0.117  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.981  -0.211   0.064  0.00  0.00    +0.098 A 
ATOM     13  N   LIG    1        3.460   1.036  -0.043  0.00  0.00    -0.209 NA
ATOM     14  S   LIG    1        5.077   1.053   0.291  0.00  0.00    +0.004 S 
ATOM     15  C   LIG    1        5.216  -0.620   0.592  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        3.974  -1.195   0.429  0.00  0.00    +0.039 A 
ENDBRANCH   7  12
BRANCH   9  17
ATOM     17  N   LIG    1       -4.693  -0.497  -0.695  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -5.206  -0.462   0.181  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -5.077   0.208  -1.315  0.00  0.00    +0.144 HD
ENDBRANCH   9  17
TORSDOF 2