REMARK  Name = BDB018251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126  -0.794   1.252  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.482  -0.340   1.603  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1       -2.131  -0.884   2.647  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1       -1.510  -1.952   3.466  0.00  0.00    +0.255 A 
ATOM      5  O   LIG    1       -2.138  -2.416   4.413  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -0.239  -2.350   3.079  0.00  0.00    -0.317 N 
ATOM      7  C   LIG    1        0.445  -3.388   3.833  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1        0.417  -1.773   2.006  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1        1.920   0.036  -1.595  0.00  0.00    -0.264 N 
ATOM     10  N   LIG    1        1.534   1.294  -1.285  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1        0.738   1.129  -0.224  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.614  -0.224   0.160  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.392  -0.907  -0.750  0.00  0.00    +0.117 A 
BRANCH   9  15
ATOM     14  C   LIG    1        2.721   0.824  -3.843  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        2.804  -0.231  -2.735  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.237  -0.447  -2.268  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1        4.897  -1.652  -2.558  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        6.214  -1.859  -2.142  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.888  -0.866  -1.434  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.247   0.336  -1.142  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.931   0.546  -1.557  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  22
ATOM     22  O   LIG    1       -1.982   0.636   0.769  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.286   1.187   0.973  0.00  0.00    +0.174 C 
ATOM     24  C   LIG    1       -3.292   2.580   0.321  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.684   3.062  -0.095  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.791   2.388   0.704  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -5.762   0.867   0.542  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -4.356   0.303   0.331  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5