REMARK  Name = BDB056624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.958   3.531   0.819  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -2.923   2.534   1.075  0.00  0.00    -0.302 NA
ATOM      3  C   LIG    1       -1.860   2.550   0.058  0.00  0.00    +0.116 C 
ATOM      4  C   LIG    1       -0.867   1.369   0.255  0.00  0.00    +0.176 C 
ATOM      5  N   LIG    1       -0.608   1.079   1.682  0.00  0.00    -0.285 N 
ATOM      6  C   LIG    1       -0.166  -0.122   2.215  0.00  0.00    +0.245 C 
ATOM      7  O   LIG    1        0.043  -0.237   3.430  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -0.896   2.195   2.581  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1       -2.359   2.677   2.433  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.432   1.741  -0.481  0.00  0.00    +0.235 C 
ATOM     11  N   LIG    1        0.468   1.361  -1.806  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1       -0.190   0.645  -2.095  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1        1.353   2.361   0.046  0.00  0.00    -0.274 OA
BRANCH  11  14
ATOM     14  C   LIG    1        1.686   1.443  -2.585  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.243   0.058  -2.839  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        3.265  -0.529  -2.057  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1        3.648  -1.861  -2.325  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        3.047  -2.597  -3.348  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.049  -2.014  -4.117  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        1.280  -2.925  -5.361  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        1.650  -0.701  -3.871  0.00  0.00    +0.025 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.951   0.173  -0.909  0.00  0.00    +0.113 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.154   0.101   0.318  0.00  0.00    -0.326 NA
ATOM     24  H   LIG    1        2.561   0.949   0.334  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        3.782   0.273   1.105  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4  10
BRANCH   6  26
ATOM     26  C   LIG    1        0.039  -1.378   1.312  0.00  0.00    +0.205 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.179  -2.363   1.288  0.00  0.00    -0.003 C 
ATOM     28  C   LIG    1       -1.580  -2.781   2.714  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -0.777  -3.644   0.517  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -2.412  -1.767   0.586  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  O   LIG    1        0.486  -1.112  -0.013  0.00  0.00    -0.382 OA
ATOM     32  H   LIG    1        1.448  -0.887   0.067  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH   6  26
TORSDOF 8