REMARK  Name = BDB036797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.068  -1.181   0.716  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -0.915  -0.624  -0.221  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.489  -0.337  -1.098  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.447  -1.952   1.589  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.308  -1.058  -0.312  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.865  -0.518  -1.635  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.359  -0.803  -2.720  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.859   0.422  -1.557  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.161   0.796  -2.447  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.035   1.287  -0.507  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.596   2.367  -0.670  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.421   0.887   0.812  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.174  -0.612   0.866  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        3.167   0.572  -0.072  0.00  0.00    +0.215 A 
ATOM     15  N   LIG    1        4.096  -0.253   0.455  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        3.646  -1.366   1.072  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1        2.308  -1.696   1.175  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        1.373  -0.833   0.603  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        1.806   0.333  -0.025  0.00  0.00    +0.080 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.968   1.924  -0.709  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        3.557   1.737  -0.704  0.00  0.00    -0.480 OA
ENDBRANCH  14  21
ENDBRANCH   1  18
TORSDOF 3