REMARK  Name = BDB065423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.213  -1.682  -1.356  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.293  -1.805  -0.928  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.228  -1.409  -2.716  0.00  0.00    +0.235 C 
ATOM      4  O   LIG    1       -2.208  -1.090  -3.380  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.371  -1.796   1.419  0.00  0.00    +0.105 A 
ATOM      6  C   LIG    1       -4.675  -1.632   0.067  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.641  -1.586  -0.875  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.309  -1.712  -0.472  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -2.022  -1.894   0.889  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -3.048  -1.938   1.837  0.00  0.00    +0.030 A 
BRANCH   5  11
ATOM     11  S   LIG    1       -5.690  -1.852   2.602  0.00  0.00    +0.056 S 
ATOM     12  O   LIG    1       -6.815  -2.524   1.998  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1       -5.144  -2.243   3.882  0.00  0.00    -0.153 OA
BRANCH  11  14
ATOM     14  N   LIG    1       -6.075  -0.220   2.759  0.00  0.00    -0.204 NA
ATOM     15  H   LIG    1       -5.868   0.078   3.713  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1       -5.619   0.372   2.065  0.00  0.00    +0.144 HD
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        0.160  -1.501  -3.354  0.00  0.00    +0.213 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.937  -0.327  -3.003  0.00  0.00    -0.219 N 
ATOM     19  C   LIG    1        1.570  -0.233  -1.788  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        1.485  -1.083  -0.910  0.00  0.00    -0.269 OA
ATOM     21  C   LIG    1        2.304   1.067  -1.673  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1        3.074   1.457  -0.635  0.00  0.00    -0.051 C 
ATOM     23  C   LIG    1        3.340   0.558   0.562  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1        4.538   1.015   1.395  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        4.389   2.453   1.886  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        3.689   3.366   0.880  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        3.740   2.821  -0.547  0.00  0.00    +0.032 C 
ATOM     28  S   LIG    1        1.995   1.999  -3.099  0.00  0.00    -0.026 S 
ATOM     29  C   LIG    1        1.020   0.747  -3.840  0.00  0.00    +0.286 C 
ATOM     30  O   LIG    1        0.527   0.863  -4.949  0.00  0.00    -0.262 OA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5