REMARK  Name = BDB056619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.043   0.188  -0.470  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.251  -0.501  -0.029  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.380  -0.525  -0.860  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        3.587  -1.118  -0.490  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.674  -1.712   0.782  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.890  -2.304   1.147  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        5.960  -2.289   0.259  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        5.777  -1.681  -0.969  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        2.563  -1.695   1.642  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.621  -1.100  -1.360  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        1.369  -1.092   1.240  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        2.318   0.064  -2.105  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        3.215  -0.080  -2.480  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.139   1.583   0.156  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        0.419   2.680  -0.524  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        0.368   3.966   0.022  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1        1.077   5.255  -0.886  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -0.239   4.172   1.265  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1       -0.338   5.731   2.004  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -0.790   3.090   1.955  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -0.738   1.806   1.407  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1       -1.184  -0.673  -0.102  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -0.959  -1.642  -0.308  0.00  0.00    +0.148 HD
BRANCH  22  27
ATOM     24  C   LIG    1       -5.918  -1.816  -0.776  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.724  -0.969  -1.096  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -3.492  -1.209  -0.480  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -2.397  -0.391  -0.763  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1       -2.501   0.650  -1.609  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -3.700   0.884  -2.184  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -4.829   0.115  -1.962  0.00  0.00    +0.023 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5