REMARK  Name = BDB057604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.564  -1.506  -0.630  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.707  -2.030  -0.491  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.111  -2.297  -1.837  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.357  -2.932  -2.339  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.185  -1.913  -2.730  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.819  -1.448  -1.966  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.670  -1.106  -2.395  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.361  -2.232   0.792  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.731  -2.372   0.751  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -3.206  -2.079  -0.091  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.735  -2.213   1.851  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.524  -2.355   1.967  0.00  0.00    +0.109 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.724  -0.941   2.528  0.00  0.00    +0.054 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.443  -0.033   1.557  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -5.835  -0.091   1.424  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -6.486   0.724   0.496  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.765   1.605  -0.313  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -4.378   1.667  -0.184  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.722   0.853   0.747  0.00  0.00    +0.007 A 
BRANCH  17  20
ATOM     20  O   LIG    1       -6.527   2.338  -1.181  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -5.838   3.254  -2.022  0.00  0.00    +0.277 C 
ENDBRANCH  17  20
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  22
ATOM     22  N   LIG    1        1.478  -1.091   0.275  0.00  0.00    -0.221 N 
ATOM     23  H   LIG    1        1.251  -1.241   1.266  0.00  0.00    +0.176 HD
BRANCH  22  25
ATOM     24  C   LIG    1        3.476  -0.315   0.906  0.00  0.00    +0.138 C 
ATOM     25  N   LIG    1        2.697  -0.612  -0.087  0.00  0.00    -0.189 NA
BRANCH  24  29
ATOM     26  C   LIG    1        7.426   1.230   0.352  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.637   0.928  -0.760  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        5.343   0.422  -0.587  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.837   0.217   0.699  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1        5.620   0.517   1.815  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        6.910   1.022   1.635  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.274   1.952  -0.958  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.699   1.727   0.323  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  24  29
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9