REMARK  Name = BDB028866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.337  -4.182   0.074  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.112  -2.821   0.006  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -1.271  -2.644   0.017  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1       -1.850  -1.354  -0.046  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -1.015  -0.303  -0.119  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        0.467  -0.562  -0.125  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1       -1.932  -3.840   0.067  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1        0.977  -1.767  -0.061  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -0.957  -4.747   0.110  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.855  -5.678   1.393  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        1.661  -4.885   0.099  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        1.841  -5.793  -1.119  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1        1.302   0.535  -0.195  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        0.876   1.394  -0.523  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.716   0.412  -0.529  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.468   1.690  -0.126  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        4.934   1.643  -0.578  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1        5.666   2.940  -0.165  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1        5.273   3.514   1.127  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1        4.592   4.258   0.963  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        4.666   2.511   1.997  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        3.377   1.947   1.396  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1        4.993   1.490  -1.995  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        5.933   1.439  -2.245  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1       -3.250  -1.284  -0.022  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.645  -2.222  -0.146  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.053  -0.228  -0.630  0.00  0.00    +0.141 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.173   0.996   0.246  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -4.323   2.276  -0.313  0.00  0.00    +0.125 A 
ATOM     30  N   LIG    1       -4.417   3.387   0.457  0.00  0.00    -0.240 NA
ATOM     31  C   LIG    1       -4.393   3.240   1.799  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1       -4.283   2.022   2.437  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -4.177   0.886   1.646  0.00  0.00    +0.010 A 
BRANCH  29  34
ATOM     34  N   LIG    1       -4.402   2.418  -1.723  0.00  0.00    -0.321 N 
ATOM     35  C   LIG    1       -3.747   3.655  -2.163  0.00  0.00    +0.130 C 
ATOM     36  C   LIG    1       -5.812   2.355  -2.123  0.00  0.00    +0.130 C 
ENDBRANCH  29  34
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 9