REMARK  Name = BDB003978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.669  -1.158   0.204  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -1.422  -2.352   0.053  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.752  -1.961   0.188  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -3.813  -2.874   0.088  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.495  -4.215  -0.150  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.171  -4.628  -0.285  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.706  -0.603   0.406  0.00  0.00    -0.252 N 
ATOM      8  C   LIG    1       -1.123  -3.707  -0.188  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -1.453  -0.097   0.432  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.839   0.290   0.656  0.00  0.00    +0.194 C 
ATOM     11  C   LIG    1       -4.122   1.096  -0.612  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.143   0.596  -1.737  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -4.434   2.430  -0.473  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.434   2.899  -1.373  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.495   2.902   0.256  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -6.128   3.877  -0.149  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.941   2.124   1.471  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -4.833   1.821   2.469  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -3.577   1.169   1.891  0.00  0.00    +0.037 C 
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  C   LIG    1        0.814  -0.992   0.137  0.00  0.00    +0.058 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.297  -0.738  -1.293  0.00  0.00    +0.006 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.822  -0.685  -1.420  0.00  0.00    +0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.451   0.508  -0.698  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.959   0.579  -0.953  0.00  0.00    +0.001 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.590   1.772  -0.229  0.00  0.00    +0.011 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.085   1.896  -0.504  0.00  0.00    +0.120 C 
BRANCH  26  28
ATOM     27  O   LIG    1        8.443  -0.120  -0.473  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1        7.878   0.783   0.120  0.00  0.00    +0.305 C 
BRANCH  28  29
ATOM     29  O   LIG    1        7.925   0.861   1.463  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        8.467   0.088   1.726  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 10