REMARK  Name = BDB017415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.224   1.350   1.165  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.812   0.201   1.272  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.448  -0.120   1.718  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.733  -1.084   1.825  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.696  -0.937   0.910  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.076  -0.775   1.077  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.945  -1.807   0.710  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        3.435  -3.013   0.217  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.060  -3.171   0.042  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.190  -2.132   0.378  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.409  -1.678   0.897  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1        6.058  -0.545   0.424  0.00  0.00    -0.293 N 
ATOM     13  C   LIG    1        7.487  -0.398   0.702  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1        7.934   1.055   0.525  0.00  0.00    +0.179 C 
ATOM     15  O   LIG    1        7.688   1.579  -0.788  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1        6.599   0.946  -1.475  0.00  0.00    +0.179 C 
ATOM     17  C   LIG    1        5.506   0.418  -0.538  0.00  0.00    +0.136 C 
ATOM     18  O   LIG    1        5.994  -2.596   1.468  0.00  0.00    -0.270 OA
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1       -1.427   0.893   2.063  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.016   1.642   0.857  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.039   2.539   1.315  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -3.417   2.971   0.529  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.549   0.711  -0.266  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.404  -0.424   0.149  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.694  -0.011   0.734  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.692   0.533  -0.265  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.641   0.141  -1.616  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.602   0.621  -2.516  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.617   1.470  -2.075  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.678   1.848  -0.736  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.516  -0.735  -2.111  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.723   1.380   0.167  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.675  -1.341  -0.975  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7