REMARK  Name = BDB055626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.460   1.647   0.628  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.891   0.594  -0.086  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        1.527  -0.590  -0.220  0.00  0.00    -0.199 NA
ATOM      4  C   LIG    1        2.724  -0.762   0.362  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        3.336   0.192   1.067  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1        2.694   1.371   1.181  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        0.050   6.484   1.330  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        0.153   5.021   1.140  0.00  0.00    +0.081 A 
ATOM      9  N   LIG    1       -0.950   4.264   1.128  0.00  0.00    -0.083 NA
ATOM     10  O   LIG    1       -0.512   2.968   0.932  0.00  0.00    -0.354 OA
ATOM     11  C   LIG    1        0.847   2.950   0.818  0.00  0.00    +0.172 A 
ATOM     12  C   LIG    1        1.315   4.236   0.958  0.00  0.00    +0.076 A 
ENDBRANCH   1  11
BRANCH   2  13
ATOM     13  N   LIG    1       -0.314   0.783  -0.784  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -0.964   1.345  -0.235  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -0.958  -0.387  -1.392  0.00  0.00    +0.072 C 
ATOM     16  C   LIG    1       -1.616  -1.257  -0.304  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.838  -2.008  -0.824  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -3.940  -1.067  -1.367  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -3.368   0.291  -1.831  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -1.976   0.118  -2.434  0.00  0.00    +0.024 C 
BRANCH  18  21
ATOM     21  N   LIG    1       -5.109  -0.981  -0.468  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -6.247  -0.310  -1.099  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -4.841  -0.394   0.843  0.00  0.00    +0.104 C 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   2  13
BRANCH   4  24
ATOM     24  N   LIG    1        3.290  -2.020   0.173  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        2.663  -2.569  -0.397  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.486  -2.621   0.580  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.737  -3.946   0.185  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        5.913  -4.600   0.560  0.00  0.00    +0.044 A 
ATOM     29 CL   LIG    1        6.182  -6.224   0.054  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        6.866  -3.955   1.337  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        6.629  -2.645   1.735  0.00  0.00    +0.044 A 
ATOM     32 CL   LIG    1        7.798  -1.827   2.699  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        5.454  -1.983   1.363  0.00  0.00    +0.043 A 
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 6