REMARK  Name = BDB034747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.402  -4.582  -1.377  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.403  -3.270  -0.799  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.263  -2.508  -0.518  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.679  -1.280  -0.006  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.224  -0.299   0.352  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.596  -0.564   0.191  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.999  -1.820  -0.324  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.081  -1.290   0.045  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.070  -2.804  -0.689  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.551  -2.517  -0.475  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.717  -2.848  -0.622  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.505   0.434   0.599  0.00  0.00    -0.299 N 
ATOM     13  H   LIG    1        2.228   1.373   0.288  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.874   0.352   0.828  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1        4.625   1.511   0.515  0.00  0.00    -0.200 N 
ATOM     16  C   LIG    1        6.005   1.564   0.730  0.00  0.00    +0.159 A 
ATOM     17  C   LIG    1        6.408   2.813   0.319  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        5.237   3.451  -0.119  0.00  0.00    +0.137 A 
ATOM     19  N   LIG    1        6.702   0.512   1.254  0.00  0.00    -0.216 NA
ATOM     20  C   LIG    1        6.005  -0.542   1.558  0.00  0.00    +0.135 A 
ATOM     21 CL   LIG    1        6.894  -1.863   2.226  0.00  0.00    -0.062 Cl
ATOM     22  N   LIG    1        4.153   2.682  -0.005  0.00  0.00    -0.172 NA
ATOM     23  C   LIG    1        4.532  -0.687   1.375  0.00  0.00    +0.084 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  24
ATOM     24  C   LIG    1       -2.924  -0.188   0.439  0.00  0.00    +0.130 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.207   0.750  -0.734  0.00  0.00    +0.056 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.153   1.923  -0.419  0.00  0.00    +0.062 C 
ATOM     27  C   LIG    1       -3.594   2.841   0.669  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.562   1.457  -0.047  0.00  0.00    +0.041 C 
BRANCH  26  29
ATOM     29  O   LIG    1       -4.258   2.719  -1.607  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -4.655   2.168  -2.304  0.00  0.00    +0.210 HD
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 6