REMARK  Name = BDB033938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.523   0.212  -1.485  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.826   1.238  -3.339  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.765   0.480  -2.908  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.989   0.286  -3.538  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        3.699   1.646  -2.583  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        4.025   2.256  -5.307  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        2.799   1.499  -4.831  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        0.068  -0.295  -1.392  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.414  -0.547  -0.132  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        0.159  -0.331   0.690  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.623  -0.450  -2.403  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.801  -0.952   0.110  0.00  0.00    +0.091 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.744   0.269   0.015  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.211  -0.091   0.047  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -5.006   0.236   1.153  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.359  -0.109   1.178  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.929  -0.780   0.098  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.149  -1.103  -1.011  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.797  -0.759  -1.038  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1       -1.900  -1.705   1.460  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.489  -0.902   2.619  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1       -1.498  -1.499   3.445  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -2.190  -0.182   2.791  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1        2.517  -0.814  -0.925  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.839  -0.531   0.513  0.00  0.00    +0.082 A 
ATOM     26  S   LIG    1        4.464  -0.563   1.064  0.00  0.00    -0.072 S 
ATOM     27  C   LIG    1        3.935  -0.165   2.653  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        2.544  -0.041   2.650  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1        1.888   0.283   3.856  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        2.635   0.472   5.024  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.020   0.344   4.997  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1        4.920   0.580   6.446  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        4.698   0.024   3.818  0.00  0.00    +0.037 A 
ATOM     34  N   LIG    1        1.932  -0.254   1.427  0.00  0.00    -0.244 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10