REMARK  Name = BDB015686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.627   0.295   0.496  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.097  -0.828   0.977  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.184  -0.730   1.367  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.910   0.398   1.364  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.316   1.507   0.880  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.009   1.508   0.444  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.149   2.736   0.881  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.089   3.598  -0.153  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.853   4.756  -0.198  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.720   5.630  -1.353  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.744   5.103   0.815  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.434   6.118   0.835  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.841   4.139   1.942  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.088   3.033   1.953  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.973   0.101   0.090  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.199  -0.857   0.368  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.239   0.251  -1.574  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        1.505   1.398  -2.067  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.057  -1.060  -2.156  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.974   0.684  -1.615  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.997  -1.181  -0.195  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        4.944  -0.488  -1.547  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1       -1.842  -1.848   1.861  0.00  0.00    -0.417 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.248  -3.060   1.599  0.00  0.00    +0.208 A 
ATOM     25  C   LIG    1       -1.190  -3.596   0.305  0.00  0.00    +0.165 A 
ATOM     26  C   LIG    1       -0.606  -4.854   0.113  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -0.079  -5.562   1.199  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -0.144  -5.024   2.483  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -0.735  -3.780   2.676  0.00  0.00    +0.169 A 
ATOM     30  F   LIG    1       -0.796  -3.276   3.917  0.00  0.00    -0.202 F 
BRANCH  25  31
ATOM     31  O   LIG    1       -1.760  -2.861  -0.701  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -1.159  -3.009  -1.984  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8