REMARK  Name = BDB015790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.839   1.100  -0.700  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.319  -0.119  -0.830  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.019  -0.187  -0.787  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.840   0.860  -0.629  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.263   2.070  -0.487  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.104   2.246  -0.530  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.197   3.208  -0.320  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.949   4.160   0.602  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.798   5.241   0.796  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.453   6.220   1.816  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.971   5.411   0.065  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.752   6.350   0.187  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.268   4.348  -0.930  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.425   3.320  -1.093  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.251   1.146  -0.738  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.684   2.049  -0.919  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.043   0.366   0.524  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.335   1.019   0.587  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.178   0.335   1.683  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.281  -1.287  -0.133  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.290  -1.998   1.268  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        3.839  -2.263   0.897  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1       -1.652  -1.424  -0.843  0.00  0.00    -0.420 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.830  -2.506  -1.042  0.00  0.00    +0.170 A 
ATOM     25  C   LIG    1       -0.445  -3.312   0.043  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1        0.365  -4.431  -0.212  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        0.777  -4.738  -1.513  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        0.378  -3.935  -2.580  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -0.429  -2.829  -2.340  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -0.819  -2.070  -3.375  0.00  0.00    -0.202 F 
BRANCH  25  31
ATOM     31  C   LIG    1       -0.889  -3.015   1.454  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1       -2.286  -3.549   1.734  0.00  0.00    +0.009 C 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8