REMARK  Name = BDB013984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.468  -0.897   0.207  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.377   0.053   0.743  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.634   1.251   0.915  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.905  -0.471   0.934  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.203  -1.872   0.954  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.303  -2.806   1.509  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.611  -4.177   1.475  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.810  -4.624   0.928  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.721  -3.706   0.422  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.946  -2.364   2.226  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.425  -2.341   0.443  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.010  -1.835   1.280  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.450  -0.553  -1.264  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.541  -0.069  -0.344  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.482   0.930  -0.168  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.429  -1.714  -1.660  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.457   0.521  -1.747  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.401  -0.066  -2.792  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.788   2.344  -0.826  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.208   1.032  -0.577  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.587   1.089   0.229  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.991   0.483   1.196  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.653   1.109  -0.014  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1       -3.772   1.970   0.126  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.341   2.507  -1.047  0.00  0.00    +0.094 A 
ATOM     26  C   LIG    1       -5.442   3.351  -0.949  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -6.002   3.688   0.282  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.453   3.174   1.447  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -3.847   2.221  -2.260  0.00  0.00    -0.149 NA
ATOM     30  N   LIG    1       -2.766   1.406  -2.399  0.00  0.00    -0.157 NA
ATOM     31  C   LIG    1       -4.349   2.324   1.372  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -2.194   0.877  -1.303  0.00  0.00    +0.140 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5