REMARK  Name = BDB053934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.524   0.821   0.157  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -0.665  -0.222   0.461  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1       -1.085  -1.043   0.876  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.112   1.971   0.026  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.877  -1.937  -0.949  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -3.525  -0.720  -0.392  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.920   0.446   0.048  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1       -4.127   1.582   0.488  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1       -5.362   0.441   0.128  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1       -4.910  -0.718  -0.313  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1       -6.799   0.746   0.305  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -7.742  -0.263   0.035  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -9.115  -0.038   0.183  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -9.567   1.208   0.605  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1      -11.252   1.492   0.789  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -8.658   2.226   0.877  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -7.284   1.997   0.727  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.735   0.030   0.756  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.573  -1.246   0.624  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        3.034  -0.993   1.020  0.00  0.00    +0.110 C 
ATOM     21  N   LIG    1        3.681  -0.587  -0.226  0.00  0.00    -0.330 N 
ATOM     22  C   LIG    1        2.840  -0.863  -1.388  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1        1.706  -1.718  -0.825  0.00  0.00    +0.025 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.949  -0.059  -0.301  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        5.787   0.022   0.822  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        7.082   0.563   0.751  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1        7.570   1.042  -0.464  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        6.763   0.977  -1.595  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.475   0.434  -1.507  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.892   0.602   1.993  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        7.541   0.204   3.089  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.110   1.140   1.807  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        9.521   1.101   2.696  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7