REMARK  Name = BDB061993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.841  -0.125  -0.193  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.052   0.936   0.254  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.343   0.848   0.237  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.971  -0.314  -0.233  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.179  -1.380  -0.683  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        0.220  -1.282  -0.662  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.395  -0.389  -0.244  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1       -4.143   0.661   0.203  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -5.431   0.287   0.068  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1       -5.469  -1.042  -0.483  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -6.591  -1.805  -0.783  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.778  -1.111  -0.477  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.806   0.208   0.071  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.638   0.959   0.365  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -4.177  -1.441  -0.669  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1       -6.722   2.316   0.929  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -7.804   2.840   1.165  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1       -5.550   2.965   1.179  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -5.577   3.899   1.562  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.654   2.528   0.979  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  O   LIG    1        2.187   0.096  -0.119  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.048  -0.953  -0.561  0.00  0.00    +0.264 C 
BRANCH  22  26
ATOM     23  C   LIG    1        7.186   0.177   0.026  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        6.772  -0.397  -1.181  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.435  -0.757  -1.373  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        4.488  -0.535  -0.364  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        4.909   0.043   0.844  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        6.246   0.405   1.037  0.00  0.00    +0.013 A 
BRANCH  23  32
ATOM     29  N   LIG    1        9.108   0.690   1.446  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1       10.111   0.813   1.520  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        8.627   0.325   2.255  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1        8.621   0.541   0.177  0.00  0.00    +0.242 C 
ATOM     33  O   LIG    1        9.358   0.670  -0.792  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6