REMARK  Name = BDB028326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.532  -1.398  -0.756  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.060  -0.336   0.004  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.082   0.479  -0.505  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.584   0.236  -1.778  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.657   1.094  -2.306  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.091   2.096  -1.475  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.832   2.699  -1.822  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.623   2.362  -0.226  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.126   0.914  -3.424  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.076  -0.813  -2.551  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.672   1.611   0.254  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.058  -1.621  -2.040  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.719  -2.542   0.809  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        0.715  -1.704   0.319  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.458  -2.249  -0.222  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.553  -3.644  -0.220  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.393  -4.485   0.265  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.504  -3.910   0.776  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        2.882  -2.091   1.383  0.00  0.00    -0.454 OA
BRANCH  19  24
ATOM     20  C   LIG    1        5.501   2.414  -0.860  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.829   1.206  -0.276  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        4.496   0.117  -1.093  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.844  -0.996  -0.557  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.499  -1.011   0.796  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        3.835   0.061   1.620  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.486   1.173   1.082  0.00  0.00    +0.007 A 
ENDBRANCH  19  24
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -3.136   1.904   1.660  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.821   3.057   2.256  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -4.825   2.863   2.236  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -3.728   3.841   1.605  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5