REMARK  Name = BDB028426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.087  -0.604  -0.824  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -0.291  -0.383  -0.854  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -1.190  -1.422  -0.574  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.624  -2.664  -0.279  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        0.706  -2.925  -0.253  0.00  0.00    -0.259 NA
ATOM      6  C   LIG    1        1.530  -1.886  -0.527  0.00  0.00    +0.157 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.647  -1.212  -0.586  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.227  -0.130   0.105  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.614   0.077   0.095  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.430  -0.793  -0.619  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -6.882  -0.555  -0.650  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -7.330   0.544   0.040  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -8.329   0.726   0.028  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -6.562   1.406   0.762  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -7.639  -1.300  -1.263  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -4.879  -1.875  -1.311  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -5.278   1.197   0.809  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -3.497  -2.081  -1.290  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.446   2.171   1.639  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.774   3.113   0.742  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.304   3.824   1.304  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.490   3.617   0.214  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  23
ATOM     23  O   LIG    1        1.879   0.475  -1.136  0.00  0.00    -0.451 OA
BRANCH  23  27
ATOM     24  C   LIG    1        5.925   0.376  -0.167  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        4.977   0.552   0.851  0.00  0.00    +0.095 A 
ATOM     26  C   LIG    1        3.610   0.587   0.563  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1        3.204   0.423  -0.770  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1        4.143   0.272  -1.793  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        5.504   0.240  -1.490  0.00  0.00    +0.049 A 
BRANCH  24  31
ATOM     30  C   LIG    1        8.231   0.180  -0.722  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.224   0.362   0.266  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1        2.614   0.776   1.484  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        2.998   0.862   2.850  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 7