REMARK  Name = BDB024608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.844  -0.712   0.902  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.452  -0.896   0.975  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -2.945  -1.626   2.156  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -3.296  -3.121   2.085  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -1.430  -1.508   2.392  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -0.942  -0.117   2.050  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.252   0.119   0.601  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.336   0.745  -0.267  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.922   1.222  -0.005  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.399   1.682  -1.145  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1        0.446   1.569  -2.137  0.00  0.00    -0.331 N 
ATOM     12  C   LIG    1        0.523   2.009  -3.510  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1       -0.661   0.945  -1.600  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -1.883   0.544  -2.141  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.793  -0.070  -1.270  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.510  -0.273   0.090  0.00  0.00    +0.045 A 
ATOM     17  O   LIG    1       -5.641  -1.254   1.665  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -6.658   0.414  -0.081  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -5.250   0.179  -0.048  0.00  0.00    -0.453 OA
ENDBRANCH   1  19
BRANCH  10  20
ATOM     20  C   LIG    1        2.768   2.279  -1.296  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.929   1.265  -1.350  0.00  0.00    +0.135 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.194   0.556  -0.026  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        5.186   1.047   0.839  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.444   0.420   2.060  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.710  -0.701   2.438  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.718  -1.196   1.595  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.461  -0.572   0.372  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1        3.838   0.352  -2.561  0.00  0.00    +0.313 C 
ATOM     29  O   LIG    1        3.135   0.521  -3.547  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.715  -0.673  -2.548  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        4.556  -1.153  -3.385  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 6