REMARK  Name = BDB061449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.645  -1.980   3.445  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.479  -1.186   2.980  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -0.830  -1.397   1.779  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1        0.213  -0.512   1.709  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1        0.124   0.232   2.874  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        1.066   1.243   3.071  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.030   1.418   2.071  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.032   0.595   0.934  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        1.120  -0.391   0.723  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -0.922  -0.193   3.650  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.029   0.750  -0.144  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.683   0.507  -1.480  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.638   0.647  -2.475  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.900   1.029  -2.228  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        5.239   1.263  -0.952  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        4.353   1.128   0.107  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        3.301   0.434  -3.811  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        4.155   0.530  -4.353  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        2.865  -0.471  -3.942  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        6.566   1.626  -0.719  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        7.011   1.701  -1.630  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.628   2.494  -0.201  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -1.139  -2.401   0.778  0.00  0.00    +0.169 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.279  -1.980  -0.162  0.00  0.00    +0.190 C 
ATOM     25  C   LIG    1       -2.734  -3.181  -0.990  0.00  0.00    +0.054 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -1.784  -0.991  -1.080  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.471   0.191  -1.069  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1       -1.711   1.356  -0.983  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -2.337   2.602  -0.992  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.724   2.684  -1.108  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.483   1.520  -1.223  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.857   0.271  -1.212  0.00  0.00    +0.045 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7