REMARK  Name = BDB028275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.907  -0.799   1.632  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -0.525  -0.765   1.562  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        0.440  -1.009   0.457  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1        1.808  -0.646   0.835  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1        2.190  -0.916   2.229  0.00  0.00    +0.131 C 
ATOM      6  C   LIG    1        1.265  -0.208   3.207  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        2.717  -0.540  -0.219  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        2.349  -0.686  -1.387  0.00  0.00    -0.275 OA
ATOM      9  N   LIG    1       -0.112  -0.417   2.818  0.00  0.00    -0.265 N 
ATOM     10  N   LIG    1       -1.109  -0.216   3.694  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -2.206  -0.442   2.967  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -5.709   0.495  -1.363  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -4.648  -0.439  -0.906  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.520  -1.641  -1.600  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -3.548  -2.578  -1.232  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -2.690  -2.305  -0.167  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.795  -1.095   0.528  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -5.412  -1.914  -2.739  0.00  0.00    +0.272 A 
ATOM     19  O   LIG    1       -5.343  -2.965  -3.366  0.00  0.00    -0.266 OA
ATOM     20  N   LIG    1       -6.309  -0.924  -3.053  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1       -6.931  -1.092  -3.839  0.00  0.00    +0.192 HD
ATOM     22  C   LIG    1       -3.778  -0.163   0.158  0.00  0.00    +0.019 A 
ATOM     23  N   LIG    1       -6.470   0.252  -2.390  0.00  0.00    -0.174 NA
BRANCH  12  24
ATOM     24  C   LIG    1       -5.929   1.820  -0.636  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.130   2.866  -1.277  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -5.443   2.953  -2.247  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -4.151   2.588  -1.328  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  12  24
ENDBRANCH   1  17
BRANCH   7  28
ATOM     28  C   LIG    1        4.179  -0.208   0.113  0.00  0.00    +0.075 C 
ATOM     29  C   LIG    1        4.305   1.198   0.738  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1        4.846   2.234  -0.242  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        6.226   1.851  -0.776  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        6.415   0.343  -0.940  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1        5.085  -0.374  -1.126  0.00  0.00    +0.013 C 
ENDBRANCH   7  28
TORSDOF 4