REMARK  Name = BDB060441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.504   0.888   0.484  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.670  -0.044   0.127  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.605   1.606   0.914  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.599   2.674   1.513  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -4.520  -3.568  -2.116  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -4.774  -2.404  -1.302  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -5.276  -2.586  -0.445  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -3.783  -1.448  -1.158  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.155  -0.360  -0.342  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.183   0.615   0.107  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.596   1.871   0.591  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.644   2.820   0.999  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.282   2.526   0.973  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.851   1.277   0.545  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.048   2.255   0.650  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.896   1.016   0.835  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -1.805   0.334   0.125  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.574   0.025  -0.268  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -2.702  -1.588  -1.726  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.920   0.959   0.638  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.954   1.125   1.564  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        5.203   0.534   1.340  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.439  -0.223   0.184  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        4.402  -0.366  -0.750  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.151   0.223  -0.529  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.742  -0.826  -0.040  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        6.979  -1.970  -0.773  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1        8.324  -2.195  -0.717  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1        8.853  -2.950  -1.141  0.00  0.00    +0.188 HD
ATOM     30  N   LIG    1        8.989  -1.281   0.007  0.00  0.00    -0.182 NA
ATOM     31  C   LIG    1        8.028  -0.450   0.418  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3