REMARK  Name = BDB028870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.995  -0.555   1.450  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.864   0.847   1.469  0.00  0.00    -0.183 N 
ATOM      3  C   LIG    1        0.210   1.454   0.866  0.00  0.00    +0.168 A 
ATOM      4  C   LIG    1        0.052   2.810   1.075  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.144   2.901   1.833  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        1.153   0.707   0.236  0.00  0.00    -0.175 NA
ATOM      7  C   LIG    1        0.976  -0.580   0.265  0.00  0.00    +0.323 A 
ATOM      8  N   LIG    1       -1.703   1.714   2.081  0.00  0.00    -0.170 NA
ATOM      9  N   LIG    1       -0.064  -1.255   0.858  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.950   3.917   0.613  0.00  0.00    +0.018 C 
ATOM     11  C   LIG    1        0.221   4.881  -0.325  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1        1.563   4.676   1.792  0.00  0.00    +0.012 C 
ENDBRANCH   4  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.046  -1.234   2.034  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.972  -2.229   1.850  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.418  -0.766   2.047  0.00  0.00    +0.159 C 
BRANCH  15  20
ATOM     16  C   LIG    1       -5.385   1.201  -2.237  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -4.871   0.315  -1.167  0.00  0.00    +0.060 A 
ATOM     18  N   LIG    1       -4.851  -1.011  -1.340  0.00  0.00    -0.176 NA
ATOM     19  N   LIG    1       -4.330  -1.482  -0.197  0.00  0.00    -0.264 N 
ATOM     20  C   LIG    1       -4.009  -0.509   0.709  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -4.358   0.679   0.097  0.00  0.00    +0.049 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.076  -2.931  -0.018  0.00  0.00    +0.108 C 
ATOM     23  C   LIG    1       -5.069  -3.976  -0.471  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -4.821  -3.771   0.993  0.00  0.00    +0.029 C 
ENDBRANCH  19  22
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  25
ATOM     25  O   LIG    1        1.840  -1.450  -0.313  0.00  0.00    -0.459 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.990  -0.915  -1.002  0.00  0.00    +0.179 C 
ATOM     27  C   LIG    1        4.105  -0.565  -0.006  0.00  0.00    +0.060 C 
ATOM     28  C   LIG    1        5.114  -1.704   0.122  0.00  0.00    +0.087 C 
ATOM     29  N   LIG    1        5.753  -2.069  -1.150  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        7.073  -1.461  -1.302  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        4.919  -1.816  -2.332  0.00  0.00    +0.087 C 
ATOM     32  C   LIG    1        3.436  -1.970  -2.019  0.00  0.00    +0.060 C 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 7