REMARK  Name = BDB015514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800   0.407   0.220  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.193   1.300   0.033  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.442   0.873   0.264  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.780  -0.343   0.720  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        0.762  -1.190   0.870  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.558  -0.873   0.667  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.565  -0.379  -1.415  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.473   0.464  -0.840  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.813   1.889  -0.529  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.956   2.302  -0.712  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.766   2.669  -0.041  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -4.007   4.071   0.264  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.497   2.159   0.181  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.184   0.872  -0.060  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.227   0.018  -0.611  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.199  -2.441   1.377  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.211  -2.355   1.500  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        0.898  -3.769   0.373  0.00  0.00    +0.041 S 
ATOM     19  O   LIG    1       -0.464  -3.719  -0.113  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.026  -3.883  -0.524  0.00  0.00    -0.155 OA
ATOM     21  C   LIG    1        0.997  -5.088   1.560  0.00  0.00    +0.218 C 
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  22
ATOM     22  O   LIG    1        2.432   1.832   0.095  0.00  0.00    -0.421 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.685   1.359  -0.209  0.00  0.00    +0.167 A 
ATOM     24  C   LIG    1        3.932   0.576  -1.342  0.00  0.00    +0.168 A 
ATOM     25  F   LIG    1        2.930   0.247  -2.170  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        5.218   0.140  -1.636  0.00  0.00    +0.080 A 
ATOM     27  C   LIG    1        6.260   0.509  -0.796  0.00  0.00    +0.126 A 
ATOM     28  F   LIG    1        7.504   0.096  -1.069  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.037   1.310   0.323  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.744   1.745   0.616  0.00  0.00    +0.052 A 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5