REMARK  Name = BDB001185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.705  -0.851   0.351  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.323  -1.663  -0.144  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.978  -2.556   0.708  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.566  -2.704   2.035  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.463  -1.900   2.528  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.086  -0.965   1.696  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.637   0.547  -1.517  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.317   0.144  -0.579  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -2.622   0.498  -0.301  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.098  -0.028   0.432  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -3.435   1.451  -0.968  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.787   1.611  -0.578  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1       -5.606   2.551  -1.228  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -5.088   3.332  -2.255  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -6.093   4.483  -3.045  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.761   3.192  -2.642  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -2.940   2.258  -2.001  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -5.353   0.791   0.529  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -4.727  -0.005   1.210  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -6.665   0.999   0.733  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -6.906   0.398   1.470  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  S   LIG    1        2.303  -3.556   0.067  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1        1.961  -3.879  -1.302  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        2.557  -4.605   1.033  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1        3.642  -2.532   0.051  0.00  0.00    -0.172 NA
ATOM     26  C   LIG    1        3.666  -1.411  -0.907  0.00  0.00    +0.144 C 
ATOM     27  C   LIG    1        3.343  -0.074  -0.278  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1        3.446   0.120   1.113  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        3.137   1.373   1.664  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.747   2.430   0.843  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        2.658   2.240  -0.533  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        2.177   3.546  -1.545  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        3.810  -1.022   2.030  0.00  0.00    +0.052 C 
ATOM     34  C   LIG    1        2.957   1.000  -1.096  0.00  0.00    +0.025 A 
ATOM     35  C   LIG    1        4.372  -2.239   1.299  0.00  0.00    +0.114 C 
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 6