REMARK  Name = BDB051215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.820  -0.547   2.092  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -2.220  -1.676   2.695  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -2.853  -2.602   1.946  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.061  -2.374   0.594  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.613  -1.185   0.045  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -2.013  -0.258   0.800  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.302  -3.862   2.660  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -3.280  -5.214   1.987  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1       -4.594  -4.560   2.308  0.00  0.00    +0.010 C 
ENDBRANCH   3   7
BRANCH   5  10
ATOM     10  N   LIG    1       -2.843  -0.962  -1.338  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.654  -1.809  -1.866  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.714   0.243  -1.952  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -2.503   0.335  -3.302  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1       -2.416  -0.419  -3.970  0.00  0.00    +0.190 HD
ATOM     15  N   LIG    1       -2.394   1.595  -3.757  0.00  0.00    -0.178 NA
ATOM     16  C   LIG    1       -2.567   2.344  -2.661  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -2.529   3.822  -2.750  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1       -2.775   1.546  -1.513  0.00  0.00    +0.068 A 
ENDBRANCH  10  12
ENDBRANCH   5  10
BRANCH   1  19
ATOM     19  S   LIG    1       -0.995   0.660   3.105  0.00  0.00    -0.050 S 
BRANCH  19  23
ATOM     20  C   LIG    1        2.789   1.421   0.601  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        1.589   2.073   0.292  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        0.438   1.849   1.054  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        0.466   0.959   2.130  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        1.664   0.316   2.447  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        2.818   0.544   1.686  0.00  0.00    +0.024 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.180   1.175  -0.122  0.00  0.00    +0.217 C 
ATOM     27  N   LIG    1        3.901   1.701  -0.220  0.00  0.00    -0.286 N 
ATOM     28  H   LIG    1        3.739   2.359  -0.972  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        5.573   0.360   0.704  0.00  0.00    -0.275 OA
BRANCH  26  31
ATOM     30  C   LIG    1        7.503   1.185  -1.123  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        6.091   1.739  -1.201  0.00  0.00    +0.093 C 
ENDBRANCH  26  31
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7