REMARK  Name = BDB030150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.729  -1.124   1.117  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.673  -1.877   0.425  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.799  -0.247   1.127  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.723   0.845   1.688  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.044  -0.660   0.428  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.152  -1.864  -0.267  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.108  -2.707  -0.331  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.344  -2.203  -0.905  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.479  -3.693  -1.761  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.444  -1.345  -0.861  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.360  -0.129  -0.171  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.153   0.201   0.471  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.482   0.794  -0.096  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.467   1.925   0.688  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.630   2.506   0.501  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.399   1.797  -0.374  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.726   2.156  -0.802  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.685   0.699  -0.767  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.623  -0.524   1.527  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.479   0.432   1.893  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.757  -0.467   0.243  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.755   0.897  -0.235  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.456  -1.587  -0.624  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.266  -0.792   1.155  0.00  0.00    +0.192 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.981   0.440  -0.301  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -4.491  -0.930   0.239  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -5.600  -1.690   1.000  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -6.968  -1.491   0.363  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.390  -0.023   0.380  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -6.208   0.946   0.465  0.00  0.00    +0.032 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -5.195   1.429  -2.461  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -5.320   0.246  -1.681  0.00  0.00    -0.379 OA
ENDBRANCH  25  32
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7