REMARK  Name = BDB051914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.719   0.203  -0.535  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.978   1.415  -1.196  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.931   2.268  -1.560  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -0.609   1.914  -1.267  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.322   0.714  -0.610  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.379  -0.129  -0.252  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.971  -1.075   0.948  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -4.922  -0.225   0.587  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -3.821  -0.699  -0.153  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -3.801  -2.055  -0.519  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -4.845  -2.909  -0.162  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.925  -2.417   0.567  0.00  0.00    +0.045 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.170   0.627   2.098  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.084  -0.723   1.663  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   5  15
ATOM     15  N   LIG    1        1.036   0.431  -0.362  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        1.700   1.135  -0.659  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        1.569  -0.649   0.314  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1        0.934  -1.519   0.898  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.034  -0.652   0.348  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1        3.989  -0.215  -0.621  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        5.266  -0.407  -0.074  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        6.425  -0.041  -0.787  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        6.291   0.503  -2.067  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.039   0.670  -2.638  0.00  0.00    +0.001 A 
ATOM     25  N   LIG    1        5.117  -0.997   1.187  0.00  0.00    -0.287 N 
ATOM     26  C   LIG    1        6.158  -1.372   2.069  0.00  0.00    +0.229 C 
ATOM     27  O   LIG    1        7.331  -1.174   1.774  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1        5.720  -2.007   3.356  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1        3.888   0.311  -1.932  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        3.761  -1.152   1.411  0.00  0.00    +0.108 A 
ENDBRANCH  17  19
ENDBRANCH   5  15
BRANCH   3  31
ATOM     31  C   LIG    1       -2.170   3.551  -2.261  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -1.308   4.323  -2.638  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.475   3.810  -2.452  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -3.482   4.672  -2.920  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH   3  31
TORSDOF 6