REMARK  Name = BDB015709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.738  -0.847   0.050  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.419   0.361  -0.419  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.134   0.524  -0.745  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.820  -0.417  -0.638  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.447  -1.615  -0.149  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.852  -1.881   0.227  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.540  -2.607  -0.001  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.336  -3.901  -0.317  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.337  -4.857  -0.207  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.029  -6.231  -0.572  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.626  -4.544   0.221  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.548  -5.346   0.334  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.863  -3.116   0.551  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.874  -2.222   0.437  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.089  -0.975   0.440  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.501  -1.903   0.366  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.470  -0.304   1.931  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.731  -0.914   2.304  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.321  -0.426   2.802  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.770   1.427   1.563  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.825   1.631   0.482  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.608   3.933   1.256  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.034   3.102   0.119  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.187   1.778  -1.251  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.524   2.000  -1.469  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.335   2.398  -0.406  0.00  0.00    +0.170 A 
ATOM     27  F   LIG    1       -1.799   2.543   0.816  0.00  0.00    -0.201 F 
ATOM     28  C   LIG    1       -3.700   2.646  -0.589  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1       -4.547   3.088   0.565  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -4.240   2.522  -1.875  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -3.428   2.141  -2.949  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -2.070   1.883  -2.747  0.00  0.00    +0.086 A 
ATOM     33 CL   LIG    1       -1.103   1.425  -4.100  0.00  0.00    -0.080 Cl
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8