REMARK  Name = BDB015714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.537   0.066  -0.582  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.043   1.227  -0.123  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.233   1.993   0.628  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.033   1.701   0.945  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.475   0.527   0.490  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.755  -0.324  -0.311  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -4.126  -0.110  -3.871  0.00  0.00    +0.152 C 
ATOM      8  N   LIG    1       -3.204  -0.862  -3.034  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.224  -2.252  -3.080  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -3.963  -2.929  -3.789  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -2.258  -2.937  -2.182  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -1.429  -2.226  -1.407  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -1.436  -0.770  -1.418  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -2.330  -0.157  -2.219  0.00  0.00    +0.098 A 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  N   LIG    1        2.837   0.324   0.833  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.104   1.141   1.388  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.155  -1.072   1.745  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.539  -2.209   1.094  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.863  -0.733   3.121  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.936  -1.180   1.530  0.00  0.00    +0.192 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.393  -2.346   2.356  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        5.488  -3.730   1.764  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        6.741  -2.964   2.080  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.685   3.221   1.094  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.024   3.463   0.909  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.481   4.199  -0.186  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -1.393   4.810  -1.377  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -3.849   4.449  -0.336  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -4.758   3.974   0.612  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.300   3.252   1.714  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -2.937   3.006   1.858  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -2.510   2.320   2.928  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7