REMARK  Name = BDB040748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.312   0.601   0.002  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.546   1.641  -0.627  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.636   1.202   0.259  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.448   0.567   1.152  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -5.530   0.102  -0.060  0.00  0.00    -0.035 A 
ATOM      6  C   LIG    1       -4.757  -0.442   0.975  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.367  -0.276   0.991  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.712   0.445  -0.013  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -3.486   0.979  -1.050  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.876   0.816  -1.073  0.00  0.00    +0.006 A 
BRANCH   5  17
ATOM     11  O   LIG    1      -10.752  -1.014   1.478  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -9.636  -0.709   1.068  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -8.753  -1.665   0.636  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -9.078  -2.622   0.686  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.525  -1.485   0.041  0.00  0.00    +0.227 C 
ATOM     16  O   LIG    1       -6.919  -2.455  -0.408  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.042  -0.040  -0.086  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1       -7.673   0.832   1.006  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -9.188   0.725   0.940  0.00  0.00    +0.097 C 
ENDBRANCH   5  17
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1        1.555   0.231  -0.374  0.00  0.00    -0.275 N 
ATOM     21  H   LIG    1        1.256  -0.330  -1.161  0.00  0.00    +0.152 HD
ATOM     22  C   LIG    1        2.689  -0.211   0.238  0.00  0.00    +0.401 C 
ATOM     23  O   LIG    1        3.127   0.221   1.293  0.00  0.00    -0.226 OA
BRANCH  22  24
ATOM     24  O   LIG    1        3.234  -1.202  -0.505  0.00  0.00    -0.450 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.444  -1.791   0.001  0.00  0.00    +0.237 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.623  -1.238  -0.779  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1        7.034  -1.715  -0.313  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        7.500  -0.303  -0.555  0.00  0.00    -0.029 C 
ATOM     29  C   LIG    1        8.570   0.307   0.313  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        9.042   1.066  -0.954  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        8.291   0.010  -1.806  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        6.083   0.220  -0.459  0.00  0.00    +0.013 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   3  20
TORSDOF 6