REMARK  Name = BDB015654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.221  -0.611  -0.450  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.587  -1.695  -0.903  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.738  -1.704  -0.717  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.449  -0.719  -0.143  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.759   0.340   0.320  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.613   0.420   0.221  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.568   1.389   0.986  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.295   2.691   0.775  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.030   3.707   1.370  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.665   5.086   1.084  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.110   3.453   2.213  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.789   4.309   2.772  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.436   2.020   2.424  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.704   1.065   1.836  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.620  -0.746  -0.595  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.833  -1.596  -1.122  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.520   0.543  -1.176  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        4.362   0.002  -2.220  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.650   1.672  -1.435  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.553   0.953   0.249  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.560   2.035  -0.136  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.263  -0.997   0.116  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        5.210  -0.258   0.929  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -1.395  -2.815  -1.229  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.653  -3.056  -0.730  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -2.828  -3.428   0.606  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -1.772  -3.528   1.426  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -4.096  -3.705   1.106  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.200  -3.622   0.260  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -5.030  -3.271  -1.083  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -3.754  -2.995  -1.597  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1       -3.582  -2.614  -3.039  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7