REMARK  Name = BDB001204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.792  -1.517  -1.635  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        0.141  -1.242  -0.633  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        1.066  -0.208  -0.819  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        1.034   0.555  -1.996  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.104   0.264  -2.997  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.807  -0.778  -2.823  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.043   0.076   0.271  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        3.291   0.482  -0.157  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.475   0.447  -1.159  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.682  -0.099   1.427  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.412   0.857   0.623  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.644   1.153  -0.007  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        6.757   1.530   0.767  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        6.654   1.617   2.151  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        8.020   2.079   3.086  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.449   1.333   2.780  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.336   0.958   2.020  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1        5.885   1.098  -1.476  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        6.947   1.324  -2.027  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.805   0.768  -2.214  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        5.169   0.770  -3.129  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       -1.955  -2.837  -1.422  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1       -1.776  -3.432  -0.113  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1       -1.940  -3.633  -2.636  0.00  0.00    -0.148 OA
BRANCH  22  32
ATOM     25  C   LIG    1       -4.077  -0.008   1.716  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1       -3.376  -0.903   0.897  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1       -3.904  -1.228  -0.366  0.00  0.00    +0.076 A 
ATOM     28  C   LIG    1       -5.111  -0.675  -0.814  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.367  -1.187  -2.118  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1       -4.324  -2.020  -2.452  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -5.803   0.220   0.024  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -3.466  -2.052  -1.381  0.00  0.00    -0.218 N 
ATOM     33  C   LIG    1       -5.277   0.547   1.282  0.00  0.00    +0.046 A 
BRANCH  25  35
ATOM     34  C   LIG    1       -4.137   1.121   3.812  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -3.472   0.237   2.919  0.00  0.00    -0.495 OA
ENDBRANCH  25  35
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7