REMARK  Name = BDB024514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.497  -2.931   0.859  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.558  -2.357   1.734  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        3.449  -2.846   3.131  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.679  -2.441   3.964  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.205  -2.364   3.895  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        0.997  -2.333   2.987  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.303  -1.381   1.869  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.339  -0.475   1.379  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.949  -0.275   1.803  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.459   0.656   1.020  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.509   1.116   0.126  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.643   0.374   0.324  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.895   0.361  -0.295  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.845  -0.549   0.189  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.575  -1.421   1.254  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.649  -2.658  -0.327  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.634   2.192  -0.856  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -0.934   3.558  -0.223  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -0.909   4.685  -1.260  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -1.563   4.318  -2.604  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.384   3.029  -2.535  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -1.577   1.835  -2.018  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -0.529   4.202  -3.706  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        0.619   3.805  -3.590  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -1.014   4.558  -4.910  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -0.263   4.422  -5.526  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.194  -4.543   0.610  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.240  -3.908   1.464  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.874   1.135   1.136  0.00  0.00    +0.084 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.875  -0.020   1.211  0.00  0.00    +0.103 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.106  -0.622  -0.126  0.00  0.00    +0.196 A 
ATOM     32  O   LIG    1       -3.547  -1.847  -0.363  0.00  0.00    -0.448 OA
ATOM     33  C   LIG    1       -3.900  -2.127  -1.647  0.00  0.00    +0.220 A 
ATOM     34  C   LIG    1       -4.653  -1.080  -2.125  0.00  0.00    +0.076 A 
ATOM     35  C   LIG    1       -5.277  -0.900  -3.449  0.00  0.00    +0.069 C 
ATOM     36  N   LIG    1       -4.777  -0.121  -1.145  0.00  0.00    -0.219 NA
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7