REMARK  Name = BDB053915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.438   0.710   0.154  0.00  0.00    -0.307 NA
ATOM      2  H   LIG    1       -0.613   0.257   1.049  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.888   1.351   0.154  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        1.993   0.275  -0.027  0.00  0.00    +0.123 C 
ATOM      5  N   LIG    1        3.336   0.898   0.035  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        3.599   1.614   1.291  0.00  0.00    +0.105 C 
ATOM      7  C   LIG    1        2.552   2.710   1.481  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1        1.136   2.139   1.452  0.00  0.00    +0.022 C 
BRANCH   5   9
ATOM      9  C   LIG    1        4.354   0.063  -0.463  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.414  -0.420   0.319  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        6.409  -1.244  -0.232  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1        6.360  -1.591  -1.584  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.324  -1.115  -2.381  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.338  -0.297  -1.823  0.00  0.00    +0.023 A 
BRANCH  11  15
ATOM     15  C   LIG    1        7.531  -1.769   0.583  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        8.428  -2.489   0.183  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        7.483  -1.371   1.867  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.273  -1.790   2.267  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   5   9
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1       -1.522   1.643  -0.148  0.00  0.00    +0.125 C 
BRANCH  19  22
ATOM     20  C   LIG    1       -3.618   1.303   2.285  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -3.741   0.772   0.903  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -2.833   0.924  -0.131  0.00  0.00    +0.026 A 
ATOM     23  S   LIG    1       -3.423   0.132  -1.532  0.00  0.00    -0.071 S 
ATOM     24  C   LIG    1       -4.832  -0.367  -0.676  0.00  0.00    +0.109 A 
ATOM     25  N   LIG    1       -4.873   0.044   0.579  0.00  0.00    -0.244 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -5.900  -1.170  -1.310  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -7.076  -1.428  -0.580  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -8.121  -2.182  -1.123  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -8.005  -2.693  -2.411  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -9.287  -3.620  -3.085  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -6.853  -2.457  -3.156  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -5.808  -1.701  -2.608  0.00  0.00    +0.012 A 
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 7