REMARK  Name = BDB001173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.862  -1.550  -1.284  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.937  -1.143  -0.315  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.256  -1.858  -0.163  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -0.541  -2.967  -0.965  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.371  -3.356  -1.944  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.565  -2.648  -2.106  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.639  -0.834  -2.620  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.155  -0.834  -1.494  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        3.696  -0.254  -0.364  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.225  -0.422   0.523  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.881   0.512  -0.239  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.274   0.996   1.032  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        6.453   1.754   1.162  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        7.234   2.034   0.046  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        8.672   2.962   0.216  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.855   1.569  -1.206  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        5.686   0.814  -1.347  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1        4.520   0.777   2.300  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        4.857   1.175   3.400  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.373   0.082   2.156  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        3.012   0.061   3.072  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       -1.422  -1.378   1.089  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1       -1.793  -2.583   1.799  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1       -0.882  -0.231   1.789  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -2.751  -0.853   0.182  0.00  0.00    -0.172 NA
ATOM     26  C   LIG    1       -4.043  -0.939   0.917  0.00  0.00    +0.144 C 
ATOM     27  C   LIG    1       -5.102   0.058   0.504  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1       -4.713   1.324   0.040  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -5.678   2.293  -0.251  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.031   1.996  -0.097  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.424   0.738   0.359  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.243   1.594  -0.111  0.00  0.00    +0.052 C 
ATOM     33  C   LIG    1       -6.463  -0.227   0.667  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -2.562   0.349  -0.675  0.00  0.00    +0.114 C 
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 6