REMARK  Name = BDB063819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.099   1.550  -1.280  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.853   1.797  -0.858  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.033   2.900  -1.431  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.330   3.710  -2.285  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.136   2.773  -0.755  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.915   3.392  -0.877  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.030   1.743   0.115  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.116   1.132   0.098  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        7.454  -3.865  -0.803  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        6.384  -2.832  -0.749  0.00  0.00    +0.076 A 
ATOM     11  S   LIG    1        5.938  -1.986  -2.174  0.00  0.00    -0.072 S 
ATOM     12  C   LIG    1        4.766  -1.096  -1.278  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        4.802  -1.512   0.053  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        3.924  -0.908   0.971  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        3.035   0.085   0.537  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.994   0.485  -0.802  0.00  0.00    -0.022 A 
ATOM     17  C   LIG    1        3.879  -0.099  -1.724  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1        5.729  -2.501   0.341  0.00  0.00    -0.244 NA
ENDBRANCH   1  16
BRANCH   7  19
ATOM     19  N   LIG    1       -2.045   1.383   0.941  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.833   0.518   1.432  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.462   1.605   0.692  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.939   0.673  -0.435  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.415   0.325  -0.296  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.701  -0.412   1.014  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.756  -0.024   2.152  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.244   1.405   2.003  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3