REMARK  Name = BDB025417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.790   0.738   0.363  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        3.573   0.099   0.526  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.498  -1.295   0.081  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        2.079  -1.702  -0.089  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.535  -2.893  -0.577  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        0.214  -2.891  -0.538  0.00  0.00    -0.149 NA
ATOM      7  N   LIG    1       -0.153  -1.653  -0.083  0.00  0.00    -0.202 N 
ATOM      8  C   LIG    1       -1.539  -1.339  -0.122  0.00  0.00    +0.255 C 
ATOM      9  O   LIG    1       -2.351  -2.234  -0.352  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.984  -0.942   0.291  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        1.118   0.376   0.970  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        2.561   0.558   1.489  0.00  0.00    +0.117 C 
ATOM     13  O   LIG    1        5.734   0.257  -0.252  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -1.914   0.124   0.030  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -3.361   0.306   0.468  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -4.334   0.775  -0.433  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -5.639   0.984   0.031  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.997   0.669   1.343  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.044   0.163   2.219  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -4.004   1.180  -1.737  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -4.796   1.071  -2.367  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -2.770   0.629  -2.273  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -3.731  -0.013   1.788  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.636   0.866  -1.286  0.00  0.00    +0.036 C 
ENDBRANCH   8  14
BRANCH   5  25
ATOM     25  N   LIG    1        2.245  -3.935  -1.024  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        3.165  -3.804  -1.426  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        1.706  -4.650  -1.506  0.00  0.00    +0.144 HD
ENDBRANCH   5  25
BRANCH   1  29
ATOM     28  C   LIG    1        6.062   2.655   0.803  0.00  0.00    +0.282 C 
ATOM     29  O   LIG    1        4.823   1.962   0.958  0.00  0.00    -0.454 OA
ENDBRANCH   1  29
TORSDOF 3