REMARK  Name = BDB063805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.308  -0.217  -1.030  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.434   0.377  -0.106  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.888   0.657  -0.458  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        1.349   0.387  -1.746  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.492  -0.203  -2.673  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.825  -0.505  -2.316  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.598  -0.059   0.590  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1       -3.577   0.650  -0.251  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1       -2.739  -0.543  -0.677  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -2.918  -1.497   0.505  0.00  0.00    +0.151 C 
ATOM     11  N   LIG    1       -4.284  -1.243   1.017  0.00  0.00    -0.273 NA
BRANCH   7  12
ATOM     12  N   LIG    1       -5.787   0.526   0.887  0.00  0.00    -0.347 N 
ATOM     13  H   LIG    1       -6.162   1.192   0.224  0.00  0.00    +0.143 HD
ATOM     14  H   LIG    1       -6.472  -0.130   1.250  0.00  0.00    +0.143 HD
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  O   LIG    1        1.674   1.269   0.493  0.00  0.00    -0.456 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.921   0.731   0.720  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        3.978   1.632   0.862  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        5.265   1.159   1.127  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        5.483  -0.212   1.265  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        7.068  -0.795   1.592  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        4.425  -1.113   1.147  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.137  -0.640   0.881  0.00  0.00    +0.048 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4