REMARK  Name = BDB015587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.547  -0.946   0.315  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.055   0.289   0.419  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.179   1.311   0.368  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.176   1.113   0.205  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.584  -0.197   0.180  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.243  -1.243   0.206  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.769   2.669   0.450  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.180   3.618   1.205  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.696   4.901   1.317  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.995   5.860   2.155  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.865   5.295   0.669  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.361   6.416   0.724  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.537   4.244  -0.138  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.010   3.017  -0.225  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.914  -0.616  -0.052  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.962  -1.637  -0.024  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.164   0.075   0.816  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.024  -1.014   1.226  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.646   1.020   1.781  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.029   0.998  -0.445  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.336   0.231  -1.722  0.00  0.00    +0.058 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.292  -0.935  -1.540  0.00  0.00    +0.215 C 
ATOM     23  F   LIG    1        5.644  -1.382  -2.777  0.00  0.00    -0.249 F 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.481  -1.970   0.398  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.293  -4.121   2.250  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.006  -4.284   0.786  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.084  -3.192  -0.091  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -1.835  -3.366  -1.456  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.951  -2.333  -2.303  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -1.468  -4.609  -1.958  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.362  -5.696  -1.092  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -1.631  -5.535   0.271  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 8