REMARK  Name = BDB040432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.047   0.636   2.114  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.450   0.725   1.575  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.920   1.895   0.978  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.219   1.962   0.454  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.655   3.463  -0.294  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.099   0.860   0.514  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.595  -0.325   1.093  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.511  -1.793   1.182  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.295  -0.387   1.614  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.516   0.962  -0.047  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.598   0.533   0.942  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.543   0.775   2.146  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.709  -0.074   0.407  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.424  -0.340   1.071  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.070  -0.146  -0.914  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.185  -0.536  -1.247  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.065   0.368  -1.916  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.645   0.235  -1.390  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.212  -1.225   1.081  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.845   0.104   1.112  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.195   0.732   0.400  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.833  -2.030   1.930  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.519  -3.107   0.014  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.106  -1.626  -0.122  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -1.220  -1.506  -1.382  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.388  -0.770  -0.164  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.161  -0.621   1.007  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -5.324   0.152   1.016  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -5.740   0.773  -0.160  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1       -4.996   0.647  -1.332  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -3.832  -0.127  -1.333  0.00  0.00    +0.006 A 
BRANCH  29  32
ATOM     32  S   LIG    1       -7.208   1.774  -0.149  0.00  0.00    -0.006 S 
ATOM     33  O   LIG    1       -7.130   2.675  -1.284  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1       -7.374   2.288   1.197  0.00  0.00    -0.170 OA
ATOM     35  C   LIG    1       -8.502   0.603  -0.462  0.00  0.00    +0.200 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6