REMARK  Name = BDB028287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.935  -1.657  -0.139  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.392  -0.335  -0.256  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.309   0.183   0.667  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.787  -0.629   1.690  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.757  -0.078   2.650  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.126   1.229   2.453  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.794   1.627   3.106  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.669   2.053   1.471  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.201  -0.758   3.568  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.354  -1.954   1.806  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.805   1.581   0.616  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.430  -2.465   0.893  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        1.212  -1.570  -1.480  0.00  0.00    +0.076 A 
ATOM     14  N   LIG    1        1.820  -2.470  -2.331  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.102  -2.333  -2.987  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        1.113  -3.601  -2.521  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.041  -3.437  -1.748  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.039  -2.196  -1.073  0.00  0.00    +0.027 A 
BRANCH  13  21
ATOM     19  C   LIG    1        2.679   1.209   0.594  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.163  -0.034   0.223  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        1.792  -0.280  -1.109  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.943   0.730  -2.066  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        2.462   1.970  -1.699  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.828   2.205  -0.374  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1        2.893   0.613   2.887  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        3.068   1.574   1.853  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  13  21
ENDBRANCH   1  18
BRANCH  11  27
ATOM     27  C   LIG    1       -2.275   2.503  -0.488  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.850   3.849  -0.372  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -2.635   4.196   0.565  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -3.868   3.746  -0.349  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5