REMARK  Name = BDB015705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.302  -0.647   0.230  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.072  -1.642  -0.211  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.385  -1.369  -0.251  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.954  -0.224   0.149  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -2.129   0.745   0.592  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.766   0.564   0.678  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.785   2.003   1.024  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.224   3.195   0.736  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.804   4.398   1.114  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.125   5.635   0.761  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.012   4.460   1.805  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.564   5.493   2.174  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.653   3.153   2.097  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.064   2.012   1.719  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.063  -1.026   0.284  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.103  -2.004  -0.015  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.112  -0.136  -0.699  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        1.712   1.255  -0.708  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.219  -0.901  -1.922  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.676  -0.272   0.224  0.00  0.00    +0.151 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.670  -0.049   2.583  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        3.475   0.212   1.676  0.00  0.00    +0.024 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1        4.796   0.520  -0.480  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        5.178  -0.012  -1.855  0.00  0.00    +0.006 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -3.276  -2.346  -0.679  0.00  0.00    -0.419 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.719  -3.383  -1.385  0.00  0.00    +0.185 A 
ATOM     27  C   LIG    1       -2.566  -4.641  -0.800  0.00  0.00    +0.086 A 
ATOM     28 CL   LIG    1       -3.026  -4.931   0.838  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -2.022  -5.695  -1.541  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -1.641  -5.495  -2.871  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.808  -4.242  -3.461  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -2.351  -3.198  -2.717  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -2.520  -2.004  -3.304  0.00  0.00    -0.202 F 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8