REMARK  Name = BDB015611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.288   2.084   0.151  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1       -1.851   0.834  -0.039  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -3.299   0.638  -0.361  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -0.937  -0.208   0.029  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1        0.365  -0.020   0.326  0.00  0.00    -0.194 NA
ATOM      6  C   LIG    1        0.781   1.240   0.496  0.00  0.00    +0.326 A 
ATOM      7  N   LIG    1        0.004   2.321   0.400  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.298  -1.621  -0.229  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.058  -2.525   0.736  0.00  0.00    +0.098 A 
ATOM     10  N   LIG    1       -1.367  -3.867   0.581  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1       -1.074  -4.772   1.680  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -1.940  -4.373  -0.585  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -2.249  -5.552  -0.748  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.171  -3.380  -1.685  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.736  -3.910  -2.964  0.00  0.00    +0.049 C 
ATOM     16  C   LIG    1       -1.853  -2.090  -1.486  0.00  0.00    +0.020 A 
ENDBRANCH   4   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.027   3.281   0.009  0.00  0.00    -0.204 N 
ATOM     18  H   LIG    1       -2.984   3.284   0.353  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -1.948   3.996  -1.507  0.00  0.00    +0.044 S 
ATOM     20  O   LIG    1       -3.110   4.858  -1.577  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1       -1.745   2.967  -2.505  0.00  0.00    -0.155 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -0.521   5.994  -0.238  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -0.488   5.030  -1.406  0.00  0.00    +0.185 C 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   6  24
ATOM     24  O   LIG    1        2.116   1.507   0.779  0.00  0.00    -0.423 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.925   0.411   0.984  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        3.100  -0.078   2.291  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        2.383   0.535   3.458  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1        3.931  -1.188   2.487  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.596  -1.774   1.409  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.443  -1.256   0.123  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        3.621  -0.146  -0.104  0.00  0.00    -0.008 A 
ATOM     32  C   LIG    1        3.455   0.388  -1.498  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6