REMARK  Name = BDB051211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.602   1.858  -1.085  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -1.454   1.472  -0.120  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.306   0.473  -0.408  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.289  -0.153  -1.635  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.381   0.314  -2.557  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1       -0.532   1.322  -2.314  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.157   0.117   0.643  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1       -2.884   0.672   1.452  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -4.313  -0.585   0.646  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1       -4.892  -0.930   1.841  0.00  0.00    -0.264 N 
ATOM     11  H   LIG    1       -4.545  -0.739   2.773  0.00  0.00    +0.190 HD
ATOM     12  N   LIG    1       -6.038  -1.619   1.721  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1       -6.218  -1.708   0.399  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -7.412  -2.394  -0.149  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -5.170  -1.075  -0.314  0.00  0.00    +0.068 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  S   LIG    1        0.506   3.192  -0.703  0.00  0.00    -0.050 S 
BRANCH  16  20
ATOM     17  C   LIG    1        4.337   0.805   0.175  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        3.992   1.139  -1.140  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.826   1.863  -1.411  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        1.985   2.260  -0.369  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.331   1.935   0.944  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        3.499   1.210   1.214  0.00  0.00    +0.024 A 
BRANCH  17  25
ATOM     23  C   LIG    1        7.356  -1.128   1.353  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        6.059  -0.383   1.555  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        5.529   0.074   0.362  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        6.046  -0.149  -0.479  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        5.576  -0.259   2.674  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5