REMARK  Name = BDB029912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.158  -0.176   0.872  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.298   0.538   1.690  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.585   1.447   2.066  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.734  -1.036   0.102  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.882  -0.367   0.181  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.498  -0.613   0.158  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.609   0.139   0.944  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        4.119   1.148   1.759  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        3.294   1.889   2.518  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        5.489   1.402   1.791  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        6.120   2.649   2.800  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        6.369   0.652   1.009  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.828  -2.321  -2.124  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.495  -2.031  -1.661  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        8.133  -1.059  -0.770  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.763  -1.174  -0.650  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.303  -2.194  -1.452  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.365  -2.688  -2.047  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.193   0.429   1.330  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.312  -0.281   0.586  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.890   1.904   0.835  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.010   2.954   1.269  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.265   1.761  -0.552  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.344   1.969   1.861  0.00  0.00    +0.192 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.511   1.098   1.446  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -3.372  -0.349   0.920  0.00  0.00    +0.115 C 
ATOM     27  N   LIG    1       -4.520  -0.105  -0.019  0.00  0.00    -0.180 NA
ATOM     28  C   LIG    1       -4.273   1.370   0.127  0.00  0.00    +0.115 C 
BRANCH  27  29
ATOM     29  S   LIG    1       -6.053  -0.832   0.213  0.00  0.00    +0.035 S 
ATOM     30  O   LIG    1       -6.674  -0.116   1.312  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1       -5.809  -2.256   0.333  0.00  0.00    -0.158 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -6.949  -0.530  -1.305  0.00  0.00    +0.148 C 
ATOM     33  C   LIG    1       -7.432   0.919  -1.543  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1       -8.713   0.309  -2.150  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -8.440  -0.938  -1.284  0.00  0.00    +0.028 C 
ENDBRANCH  29  32
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8