REMARK  Name = BDB015407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.692   2.668   0.346  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.166   1.944  -0.744  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.692   2.237  -1.891  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        1.738   3.254  -1.640  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.587   3.709  -0.194  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.835   1.034  -0.539  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.962   1.341   0.366  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -3.321   1.257  -0.361  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.595  -0.051  -0.991  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -2.362  -0.784  -1.319  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.193   0.158  -1.674  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.655  -0.773  -0.279  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -4.848  -2.237  -0.734  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.102  -2.566   0.758  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -4.241  -1.327   1.103  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1        0.127   1.173   2.386  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        1.179   1.984   1.814  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        1.790   3.032   2.610  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.481   0.875   1.311  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        2.145  -0.395   0.832  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.151  -1.288   0.440  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.509  -0.899   0.550  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        5.514  -1.795   0.156  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.180  -3.056  -0.339  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        3.848  -3.443  -0.447  0.00  0.00    +0.020 A 
ATOM     26 CL   LIG    1        6.426  -4.142  -0.818  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        4.824   0.374   1.056  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        2.837  -2.563  -0.058  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        3.816   1.258   1.442  0.00  0.00    +0.029 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4