REMARK  Name = BDB028003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.336   0.189   0.028  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        0.979   1.431  -0.074  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.240   1.565  -0.676  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        2.905   0.452  -1.195  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        2.297  -0.798  -1.073  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.038  -0.920  -0.472  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.638   0.993   0.583  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1       -3.421   1.222  -0.038  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.422   2.008   0.686  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -1.497   1.071   1.492  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1       -0.911   0.011   0.631  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -1.928  -0.741  -0.156  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -2.828   0.234  -0.948  0.00  0.00    +0.130 C 
ATOM     14  O   LIG    1       -5.011   1.598   1.580  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1       -5.350   0.016  -0.034  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.661   0.734   0.451  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -6.640  -0.409   0.475  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -7.101  -1.498  -0.507  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -6.506  -1.031   1.869  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.264   0.585  -1.823  0.00  0.00    +0.196 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.241   0.356  -0.810  0.00  0.00    -0.363 OA
BRANCH  21  22
ATOM     22  C   LIG    1        6.567   0.320  -1.323  0.00  0.00    +0.205 C 
ATOM     23  C   LIG    1        6.887  -1.041  -1.952  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1        6.700  -1.278  -3.147  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1        7.354  -2.018  -1.109  0.00  0.00    -0.254 N 
ATOM     26  H   LIG    1        7.578  -2.902  -1.542  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        7.782  -1.863   0.185  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1        8.383  -2.761   0.767  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        7.464  -0.545   0.844  0.00  0.00    +0.099 C 
ATOM     30  C   LIG    1        7.529   0.586  -0.170  0.00  0.00    +0.050 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6