REMARK  Name = BDB060442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.272  -1.026   0.199  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.070  -0.058  -0.014  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.794  -1.821   0.578  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.741  -2.959   1.028  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -3.556   3.623   0.583  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.744   2.211   0.362  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -3.694   1.614   1.177  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.663   1.778  -0.566  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.885   0.400  -0.576  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.938  -0.628  -0.244  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.390  -1.945  -0.034  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -3.469  -2.954   0.291  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.106  -2.674   0.399  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.637  -1.387   0.158  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.836  -2.337  -0.204  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.764  -1.135  -0.228  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.557  -0.380  -0.174  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.170  -0.051  -1.109  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -5.297   2.568  -1.262  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.131  -1.172   0.456  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.108  -1.468   1.411  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.374  -0.877   1.330  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.686   0.005   0.286  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        3.705   0.282  -0.678  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.436  -0.305  -0.599  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.002   0.616   0.217  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.648   0.996  -0.942  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.857   1.504  -0.561  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.891   2.025  -1.421  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        8.050   1.485   0.769  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.925   0.940   1.240  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3