REMARK  Name = BDB014525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.028  -1.967   1.921  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.808  -1.146   1.448  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.791  -0.748   0.127  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.630  -0.269  -0.191  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.017  -1.456  -0.877  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.509  -1.406  -0.700  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.121  -2.045  -1.833  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -3.038  -1.696  -1.838  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.042   0.041  -0.615  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.524   0.077  -0.685  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.972   1.449  -1.007  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.476   1.619  -0.969  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.282   0.736  -0.231  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.668   0.931  -0.183  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.250   2.011  -0.846  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.453   2.900  -1.564  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.661  -0.458   0.448  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.072   2.708  -1.623  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.137  -0.337   0.592  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.855  -0.431   2.309  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.958   0.107   1.589  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.958  -0.741   1.185  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        5.047  -0.126   0.534  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        5.089   1.381   0.371  0.00  0.00    +0.120 C 
ATOM     25  N   LIG    1        6.072   1.860  -0.613  0.00  0.00    -0.312 NA
ATOM     26  H   LIG    1        6.156   2.871  -0.521  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        7.372   1.234  -0.373  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1        7.296  -0.275  -0.619  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1        6.131  -0.915   0.095  0.00  0.00    -0.038 A 
ATOM     30  C   LIG    1        6.100  -2.303   0.270  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.013  -2.904   0.896  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        3.946  -2.129   1.353  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8