REMARK  Name = BDB063461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.264   1.459   0.790  0.00  0.00    -0.021 C 
ATOM      2  C   LIG    1        0.403   0.052   0.155  0.00  0.00    +0.026 C 
ATOM      3  C   LIG    1        1.825  -0.501   0.187  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1        2.736   0.410  -0.516  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        2.757   1.781   0.001  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        1.345   2.366   0.119  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.922  -0.154  -0.927  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        5.170   0.735  -1.740  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.132  -0.679  -1.875  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        5.443  -1.744  -1.302  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        6.042  -3.021  -1.300  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        7.308  -3.194  -1.869  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.974  -2.111  -2.434  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        9.532  -2.345  -3.131  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.405  -0.836  -2.450  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        4.205  -1.431  -0.779  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1       -0.232   0.203   3.055  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1        0.324   1.469   2.379  0.00  0.00    -0.011 C 
ATOM     19  C   LIG    1        1.687   1.756   3.021  0.00  0.00    +0.008 C 
ENDBRANCH   1  18
BRANCH   1  20
ATOM     20  C   LIG    1       -1.113   2.074   0.334  0.00  0.00    +0.048 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.392   1.372   0.792  0.00  0.00    +0.229 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.499   2.004   0.125  0.00  0.00    -0.490 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.593   1.178   0.144  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -5.529   1.210   1.180  0.00  0.00    +0.083 A 
ATOM     25 CL   LIG    1       -5.373   2.296   2.512  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -6.624   0.344   1.147  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -6.790  -0.541   0.076  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -5.871  -0.554  -0.985  0.00  0.00    -0.033 A 
ATOM     29  C   LIG    1       -4.773   0.318  -0.944  0.00  0.00    +0.051 A 
BRANCH  28  30
ATOM     30  C   LIG    1       -6.029  -1.522  -2.133  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.325  -2.848  -1.920  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1       -4.744  -3.198  -0.904  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.407  -3.656  -3.007  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -5.898  -3.274  -3.760  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9