REMARK  Name = BDB015521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.893  -0.454   1.343  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.293   0.555   0.690  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.845   0.952  -0.475  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.984   0.360  -0.974  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -2.524  -0.638  -0.197  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -2.013  -1.069   0.956  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.146   2.046  -1.202  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.184   2.181  -1.039  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.917   3.169  -1.677  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        3.351   3.224  -1.436  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.337   4.095  -2.539  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        1.957   4.970  -3.139  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.148   3.982  -2.710  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.800   4.994  -3.596  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.815   3.010  -2.065  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -3.658  -1.365  -0.632  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -4.361  -0.810  -1.118  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.316  -2.725  -1.562  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -1.896  -2.807  -1.824  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -4.252  -2.644  -2.666  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.821  -4.102  -0.507  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -2.938  -4.242   0.725  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.293  -4.003  -0.121  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -0.355  -0.903   2.543  0.00  0.00    -0.424 OA
BRANCH  24  29
ATOM     25  C   LIG    1        3.744  -0.320   3.085  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        2.801   0.396   3.845  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1        3.295   1.547   5.040  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        1.431   0.200   3.660  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        0.995  -0.704   2.696  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1        1.914  -1.441   1.948  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        3.285  -1.243   2.138  0.00  0.00    +0.051 A 
BRANCH  25  33
ATOM     32  C   LIG    1        6.037  -0.786   2.595  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        5.066  -0.057   3.334  0.00  0.00    -0.494 OA
ENDBRANCH  25  33
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 7