REMARK  Name = BDB012562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.206  -0.070  -0.286  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.413   1.256  -0.624  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.830   0.949  -0.333  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -2.031  -0.318   0.130  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -3.402  -0.484   0.402  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -3.977   0.756   0.109  0.00  0.00    +0.099 A 
ATOM      7  N   LIG    1       -3.005   1.618  -0.354  0.00  0.00    -0.350 N 
ATOM      8  C   LIG    1       -3.221   2.991  -0.741  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.769  -1.002   0.192  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -0.622  -2.157   0.558  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.585   1.394  -2.139  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.762   0.375  -1.394  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.330  -0.836  -0.887  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.498  -1.718  -0.225  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        4.310  -2.772   0.137  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        5.538  -2.538  -0.281  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.844  -3.965   0.878  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.142  -1.493  -0.017  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.560  -0.362  -0.469  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.550  -1.323  -0.924  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.437   0.579  -1.187  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        0.108   2.418   0.207  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        0.291   2.311   1.597  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.757   3.397   2.342  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.038   4.603   1.706  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        1.609   5.942   2.623  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.855   4.733   0.332  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.389   3.648  -0.414  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   5  29
ATOM     29  C   LIG    1       -4.128  -1.619   0.965  0.00  0.00    +0.248 C 
ATOM     30  N   LIG    1       -3.857  -2.893   0.468  0.00  0.00    -0.304 N 
ATOM     31  C   LIG    1       -4.438  -4.030   1.157  0.00  0.00    +0.132 C 
ATOM     32  C   LIG    1       -3.300  -3.167  -0.848  0.00  0.00    +0.132 C 
ATOM     33  O   LIG    1       -4.956  -1.431   1.855  0.00  0.00    -0.270 OA
ENDBRANCH   5  29
TORSDOF 3