REMARK  Name = BDB001203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332  -2.906  -0.791  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1       -0.485  -1.808  -1.076  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -1.536  -1.481  -0.208  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -1.781  -2.286   0.915  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.968  -3.392   1.181  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.090  -3.705   0.330  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.376  -0.289  -0.537  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -2.965   0.342   0.541  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.719   0.002   1.471  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.448   0.065  -1.708  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.879   1.427   0.528  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.287   2.001   1.755  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1       -5.250   3.024   1.783  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -5.771   3.510   0.588  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -6.939   4.771   0.620  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -5.354   2.981  -0.628  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -4.418   1.940  -0.657  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -3.717   1.504   3.033  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -3.398   0.337   3.197  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -3.511   2.461   3.961  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -3.605   3.382   3.653  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  S   LIG    1        1.674  -3.315  -1.875  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1        1.834  -4.758  -1.873  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1        1.543  -2.563  -3.107  0.00  0.00    -0.148 OA
BRANCH  22  30
ATOM     25  C   LIG    1        4.494   1.145  -0.404  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.978  -0.006   0.229  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        4.418  -1.266  -0.061  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.684  -2.583   0.412  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        3.801  -3.436  -0.207  0.00  0.00    +0.113 A 
ATOM     30  N   LIG    1        3.036  -2.685  -1.065  0.00  0.00    -0.218 N 
ATOM     31  C   LIG    1        3.370  -1.347  -0.989  0.00  0.00    +0.072 A 
ATOM     32  C   LIG    1        2.877  -0.199  -1.631  0.00  0.00    +0.032 A 
ATOM     33  C   LIG    1        3.454   1.042  -1.323  0.00  0.00    +0.048 A 
BRANCH  25  35
ATOM     34  C   LIG    1        4.713   3.498  -0.680  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        5.124   2.301  -0.031  0.00  0.00    -0.495 OA
ENDBRANCH  25  35
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 7