REMARK  Name = BDB005636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.968  -0.414   0.582  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.175  -1.041  -0.388  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.205  -0.818  -0.429  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.841   0.035   0.489  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.310   0.223   0.351  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -2.967   1.095   1.206  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -2.411   1.339   2.030  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -4.406   1.058   1.375  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.054   0.914   0.002  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.486  -0.294  -0.756  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.995  -0.447  -0.597  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.307  -1.369  -1.536  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -2.920  -2.002  -2.391  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.035   0.640   1.472  0.00  0.00    +0.128 A 
ATOM     15  N   LIG    1       -0.954  -1.482  -1.407  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -0.501  -2.105  -2.062  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.349   0.422   1.519  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -0.596   1.451   2.430  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        0.115   1.872   2.940  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH   1  20
ATOM     20  C   LIG    1        3.460  -0.669   0.636  0.00  0.00    +0.119 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.512  -0.920  -0.596  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.144  -0.400  -0.640  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1        4.168   1.033  -0.946  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 3