REMARK  Name = BDB063073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.750  -0.790   1.256  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        1.682  -0.153   0.640  0.00  0.00    +0.192 A 
ATOM      3  O   LIG    1        1.384   1.144   0.972  0.00  0.00    -0.434 OA
ATOM      4  C   LIG    1        0.469   1.810   0.182  0.00  0.00    +0.212 A 
ATOM      5  C   LIG    1       -0.291   1.208  -0.741  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -0.242  -0.275  -0.983  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1       -1.179   2.051  -1.566  0.00  0.00    +0.262 A 
ATOM      8  O   LIG    1       -1.789   1.603  -2.529  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1       -1.256   3.368  -1.207  0.00  0.00    -0.275 N 
ATOM     10  H   LIG    1       -1.849   3.966  -1.763  0.00  0.00    +0.173 HD
ATOM     11  C   LIG    1       -0.464   3.976  -0.275  0.00  0.00    +0.329 A 
ATOM     12  O   LIG    1       -0.501   5.183  -0.065  0.00  0.00    -0.247 OA
ATOM     13  N   LIG    1        0.386   3.150   0.402  0.00  0.00    -0.278 N 
ATOM     14  H   LIG    1        0.977   3.585   1.099  0.00  0.00    +0.173 HD
ATOM     15  C   LIG    1        0.981  -0.886  -0.303  0.00  0.00    +0.102 A 
ATOM     16  N   LIG    1        1.332  -2.149  -0.636  0.00  0.00    -0.222 NA
ATOM     17  C   LIG    1        2.381  -2.675   0.016  0.00  0.00    +0.187 A 
ATOM     18  N   LIG    1        3.103  -2.045   0.953  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   6  19
ATOM     19  C   LIG    1       -1.505  -0.996  -0.533  0.00  0.00    +0.003 A 
ATOM     20  S   LIG    1       -2.379  -1.965  -1.649  0.00  0.00    -0.101 S 
ATOM     21  C   LIG    1       -3.548  -2.381  -0.475  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -3.285  -1.802   0.745  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -2.106  -1.003   0.714  0.00  0.00    +0.012 A 
ENDBRANCH   6  19
BRANCH   1  24
ATOM     24  N   LIG    1        3.521  -0.130   2.228  0.00  0.00    -0.340 N 
ATOM     25  H   LIG    1        3.936   0.705   1.824  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        2.923   0.167   2.994  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH  17  27
ATOM     27  S   LIG    1        2.828  -4.330  -0.406  0.00  0.00    -0.103 S 
ATOM     28  H   LIG    1        1.830  -4.466  -1.288  0.00  0.00    +0.110 HD
ENDBRANCH  17  27
TORSDOF 3