REMARK  Name = BDB024670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.946  -0.832  -1.283  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.368  -0.735  -0.857  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.444   0.501  -0.224  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.651   0.943   0.358  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.742   2.254   1.083  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1        3.056   2.893   0.699  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        4.237   1.995   1.102  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1        5.468   2.484   0.317  0.00  0.00    +0.028 C 
ATOM      9  N   LIG    1        4.016   0.540   0.906  0.00  0.00    -0.234 N 
ATOM     10  C   LIG    1        4.910  -0.389   1.466  0.00  0.00    +0.407 C 
ATOM     11  O   LIG    1        4.819  -1.611   1.412  0.00  0.00    -0.226 OA
ATOM     12  C   LIG    1        2.787   0.107   0.293  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        2.684  -1.124  -0.365  0.00  0.00    +0.026 A 
ATOM     14  N   LIG    1       -0.760   1.148  -0.277  0.00  0.00    -0.232 NA
ATOM     15  C   LIG    1        1.488  -1.565  -0.950  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.582   0.351  -0.923  0.00  0.00    +0.112 A 
ENDROOT
BRANCH  10  17
ATOM     17  O   LIG    1        5.926   0.218   2.154  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        6.851  -0.682   2.766  0.00  0.00    +0.282 C 
ENDBRANCH  10  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.570  -1.941  -2.007  0.00  0.00    +0.088 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -0.719  -1.221  -4.309  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -0.853  -2.362  -3.307  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -1.954  -3.132  -1.098  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -0.831  -4.044  -0.635  0.00  0.00    +0.006 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH  16  24
ATOM     24  C   LIG    1       -3.005   0.718  -1.232  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.992   0.149  -0.200  0.00  0.00    +0.135 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.070   0.982   1.075  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.644   2.262   1.094  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.688   3.008   2.274  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.148   2.490   3.449  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.562   1.227   3.444  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.520   0.479   2.266  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -5.331  -0.058  -0.884  0.00  0.00    +0.313 C 
ATOM     33  O   LIG    1       -6.317   0.658  -0.873  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.348  -1.195  -1.622  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -6.260  -1.210  -1.988  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH  16  24
TORSDOF 9