REMARK  Name = BDB018817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.888   0.480   0.616  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.508   0.435   0.682  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.532  -0.388   0.081  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.738  -0.043   0.570  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.894  -0.690   0.134  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        1.764  -1.694  -0.830  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.503  -2.038  -1.327  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.646   1.045   1.596  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.650  -1.386  -0.873  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.816   1.461   1.477  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -3.499   1.417   1.149  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.208  -0.346   0.637  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.328   0.206  -0.053  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.356   0.321   0.876  0.00  0.00    +0.139 A 
ATOM     15  N   LIG    1        6.599   0.795   0.673  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1        6.807   1.190  -0.604  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        5.874   1.135  -1.633  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        4.895  -0.142   2.077  0.00  0.00    -0.345 N 
ATOM     19  H   LIG    1        5.456  -0.171   2.916  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1        4.600   0.634  -1.365  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        3.594  -0.557   1.949  0.00  0.00    +0.093 A 
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  N   LIG    1       -5.078  -0.763   0.376  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -3.667  -0.616  -0.117  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1       -3.841  -0.265  -1.594  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -5.103   0.581  -1.606  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.999  -0.092  -0.577  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -5.675  -1.406   2.712  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -5.400  -1.092   1.633  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 3