REMARK  Name = BDB003727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.391  -1.690  -0.107  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.283  -0.810   0.976  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -0.746  -0.793   1.656  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.369   0.103   1.237  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1        1.593   1.345   0.689  0.00  0.00    +0.068 A 
ATOM      6 CL   LIG    1        0.600   2.074  -0.510  0.00  0.00    -0.082 Cl
ATOM      7  C   LIG    1        2.766   1.986   1.221  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        3.366   1.193   2.205  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.533   1.605   2.879  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        5.104   2.837   2.556  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.529   3.647   1.588  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.370   3.236   0.922  0.00  0.00    +0.010 A 
ATOM     13  S   LIG    1        2.496  -0.272   2.454  0.00  0.00    -0.082 S 
ENDBRANCH   2   4
BRANCH   1  14
ATOM     14  C   LIG    1        1.487  -1.701  -1.084  0.00  0.00    +0.108 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.310  -4.080  -0.645  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        2.659  -2.600  -0.685  0.00  0.00    +0.016 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   1  17
ATOM     17  C   LIG    1       -0.768  -2.539  -0.402  0.00  0.00    +0.204 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.770  -1.802  -1.301  0.00  0.00    +0.235 C 
ATOM     19  N   LIG    1       -2.463  -0.813  -0.623  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -2.190  -0.685   0.351  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -1.870  -2.096  -2.489  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.438   0.077  -1.124  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1       -3.958   1.072  -0.265  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1       -3.499   1.226   1.161  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1       -4.928   1.967  -0.751  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.385   1.883  -2.064  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.877   0.903  -2.907  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.911   0.007  -2.440  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6