REMARK  Name = BDB015720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.423  -1.426   0.586  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.295  -0.430   0.355  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.780   0.794   0.127  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.575   1.035   0.176  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.364  -0.063   0.408  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.906  -1.292   0.656  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.774   1.868  -0.128  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.504   2.852  -1.010  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.408   3.869  -1.286  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.027   4.889  -2.251  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.661   3.938  -0.684  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.495   4.817  -0.883  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.980   2.841   0.264  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.084   1.877   0.508  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.776  -0.004   0.552  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.066  -0.965   0.753  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.629   0.527  -0.808  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.804  -0.620  -1.671  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.013   1.741  -1.306  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.218   0.997  -0.106  0.00  0.00    +0.192 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.770  -0.169   0.658  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        6.511  -1.286  -0.034  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        7.267  -0.302   0.812  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -0.899  -2.699   0.878  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.838  -3.157   2.911  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.165  -3.224   1.448  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.187  -2.966   0.477  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.503  -3.050  -0.882  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.556  -2.851  -1.811  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -3.796  -3.350  -1.292  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.784  -3.582  -0.337  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.470  -3.522   1.025  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7