REMARK  Name = BDB062127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.079  -1.514  -0.820  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.423  -1.243  -0.588  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1        2.052  -2.435  -0.887  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1        3.457  -2.733  -0.757  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        1.102  -3.330  -1.288  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.100  -2.808  -1.253  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.243  -2.238   0.880  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.136  -0.914   0.171  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1       -1.030  -0.588  -0.638  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -1.000   0.652  -1.295  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.046   1.566  -1.151  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -3.147   1.257  -0.346  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1       -3.188   0.012   0.299  0.00  0.00    +0.009 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.296   2.223  -0.217  0.00  0.00    +0.113 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -5.304   1.985  -1.244  0.00  0.00    -0.326 NA
ATOM     16  H   LIG    1       -4.858   2.050  -2.158  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1       -5.619   1.017  -1.171  0.00  0.00    +0.119 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1        2.097  -0.048  -0.087  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.792   0.448   1.186  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.424   1.598   1.669  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        3.366   2.264   0.879  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        3.671   1.776  -0.395  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        3.037   0.626  -0.876  0.00  0.00    +0.011 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.015   3.443   1.372  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        4.546   4.396   1.769  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
ENDBRANCH   2  18
TORSDOF 5