REMARK  Name = BDB045054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.851   0.158   2.307  0.00  0.00    -0.256 N 
ATOM      2  H   LIG    1       -0.765  -0.353   1.440  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -2.104   0.232   2.890  0.00  0.00    +0.224 C 
ATOM      4  O   LIG    1       -2.339   0.864   3.921  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1        0.253   1.759   3.592  0.00  0.00    -0.270 NA
ATOM      6  H   LIG    1       -0.675   1.746   4.048  0.00  0.00    +0.190 HD
ATOM      7  C   LIG    1        0.247   0.903   2.630  0.00  0.00    +0.188 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.371   0.766   1.884  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        2.059   1.434   2.233  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.985  -0.532   1.658  0.00  0.00    +0.151 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.277  -0.390   0.891  0.00  0.00    -0.028 A 
ATOM     12  C   LIG    1        4.403  -1.135   1.264  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.596  -1.033   0.542  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        5.688  -0.182  -0.566  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        6.959  -0.098  -1.357  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        4.558   0.541  -0.960  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.364   0.433  -0.243  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -3.174  -0.620   2.226  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.144  -0.609   0.715  0.00  0.00    -0.035 A 
ATOM     20  C   LIG    1       -3.381   0.585   0.008  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -3.337   0.620  -1.393  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1       -3.075  -0.573  -2.087  0.00  0.00    +0.161 A 
ATOM     23  C   LIG    1       -2.812  -1.756  -1.385  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -2.859  -1.780   0.006  0.00  0.00    +0.008 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -3.513   1.758  -2.135  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -3.699   2.984  -1.437  0.00  0.00    +0.277 C 
ENDBRANCH  21  25
BRANCH  22  27
ATOM     27  O   LIG    1       -3.000  -0.707  -3.451  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.040  -0.051  -4.173  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8