REMARK  Name = BDB007052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.214   0.459   0.081  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.345   0.213  -0.098  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        2.589  -0.219   0.366  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        2.634  -0.931   1.578  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.886  -1.362   2.038  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.028  -1.080   1.297  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.882  -0.374   0.117  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        1.448  -1.194   2.281  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.220  -0.747   1.788  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.694   0.059  -0.360  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.144  -0.021   0.589  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        1.320   0.878  -1.306  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.263   0.896  -1.584  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.362   1.986   0.114  0.00  0.00    -0.003 A 
ATOM     15  C   LIG    1       -1.671   2.675   1.304  0.00  0.00    +0.046 A 
ATOM     16 CL   LIG    1       -1.952   1.863   2.806  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -1.781   4.072   1.321  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.583   4.811   0.156  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -1.277   4.151  -1.028  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -1.030   5.056  -2.469  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.167   2.760  -1.052  0.00  0.00    +0.027 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1       -1.491  -0.068  -1.267  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -0.627  -0.018  -1.815  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -1.847  -1.415  -1.324  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1       -1.024  -2.211  -2.031  0.00  0.00    -0.241 NA
ATOM     26  C   LIG    1       -1.341  -3.521  -2.121  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -2.462  -4.086  -1.541  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.315  -3.252  -0.832  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.006  -1.897  -0.726  0.00  0.00    +0.043 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5