REMARK  Name = BDB007077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408  -0.596   0.612  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.833  -0.019  -0.542  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        3.217   0.164  -0.544  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        3.921  -0.065   0.652  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        5.310   0.120   0.641  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.944   0.518  -0.530  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        5.167   0.718  -1.656  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        3.230  -0.468   1.804  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.843  -0.642   1.773  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.826   0.551  -1.687  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        1.111  -0.419   0.595  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        1.173   0.200  -1.734  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.894   0.441  -2.359  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.145   0.743   0.735  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -1.541   1.264   1.983  0.00  0.00    +0.048 A 
ATOM     16 CL   LIG    1       -1.268   0.427   3.473  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -2.194   2.500   2.077  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -2.458   3.236   0.928  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -3.262   4.752   1.048  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -2.078   2.752  -0.316  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.425   1.520  -0.409  0.00  0.00    +0.008 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1       -0.824  -1.410  -0.534  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -0.487  -1.012  -1.411  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.164  -1.712  -0.703  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1       -2.652  -1.500  -1.941  0.00  0.00    -0.241 NA
ATOM     26  C   LIG    1       -3.954  -1.784  -2.166  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -4.811  -2.285  -1.204  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -4.297  -2.516   0.063  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.957  -2.232   0.316  0.00  0.00    +0.043 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5