REMARK  Name = BDB015542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.470   0.542   1.179  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.267  -0.592   0.504  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.440  -0.493  -0.543  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.148   0.637  -0.964  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.097   1.749  -0.247  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.906   1.753   0.866  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.593   2.978  -0.694  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        0.070   4.191  -1.177  0.00  0.00    -0.035 A 
ATOM      9  C   LIG    1        1.565   4.207  -1.328  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -0.668   5.259  -1.528  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.152   5.239  -1.446  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.780   6.246  -1.759  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -2.713   4.043  -1.014  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -4.160   3.924  -0.929  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -1.939   2.953  -0.652  0.00  0.00    +0.099 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.282   0.399   2.325  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.763   1.233   2.655  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.563  -0.394   3.618  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        0.138  -0.139   3.591  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.348  -0.012   4.774  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.870  -2.131   3.284  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.345  -2.443   3.065  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.258  -4.870   3.849  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.601  -3.912   2.719  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.213  -1.685  -1.220  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.975  -1.756  -1.915  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -0.958  -1.569  -3.308  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        0.313  -1.237  -4.035  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.166  -1.647  -4.011  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.357  -1.936  -3.345  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.356  -2.157  -1.968  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.163  -2.088  -1.236  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -2.187  -2.324   0.247  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8