REMARK  Name = BDB007055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.170   0.393   0.465  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.200   0.239  -0.521  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        2.534  -0.167  -0.495  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        2.975  -0.922   0.608  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        4.317  -1.326   0.628  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.160  -0.978  -0.421  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.633  -0.233  -1.460  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.080  -1.247   1.639  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.749  -0.825   1.582  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.346   0.177  -1.518  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.283  -0.068   0.495  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        0.779   0.963  -1.618  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.585   1.026  -2.179  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.304   1.896   0.740  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1       -1.165   2.368   2.060  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -1.262   3.734   2.354  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1       -1.079   4.212   4.005  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -1.499   4.653   1.328  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1       -1.632   6.351   1.616  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -1.636   4.201   0.015  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.537   2.837  -0.276  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1       -1.837   0.021  -0.789  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -1.188   0.208  -1.560  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.158  -1.326  -0.926  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1       -1.580  -1.968  -1.960  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1       -1.879  -3.279  -2.133  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1       -2.749  -3.985  -1.321  0.00  0.00    +0.059 A 
ATOM     28 CL   LIG    1       -3.076  -5.645  -1.603  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -3.355  -3.311  -0.272  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -3.059  -1.961  -0.075  0.00  0.00    +0.045 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5