REMARK  Name = BDB048450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.342   1.071  -1.637  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.568  -0.135  -2.316  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.666  -0.938  -1.995  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.568  -0.553  -0.994  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.361   0.671  -0.343  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.265   1.477  -0.663  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.711  -1.408  -0.642  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        3.592  -2.599   0.105  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        4.733  -3.380   0.370  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.987  -2.990  -0.098  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.116  -1.815  -0.831  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.990  -1.034  -1.100  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        2.283  -3.039   0.662  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        1.339  -2.347   0.985  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        2.218  -4.381   0.780  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        1.320  -4.530   1.145  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.864   1.911  -1.981  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.361   1.510   0.025  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -1.624   2.330  -0.810  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -1.777   3.631  -0.379  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.628   3.527   0.717  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -3.005   4.685   1.414  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -2.511   5.922   0.987  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.657   6.006  -0.113  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -1.271   4.861  -0.822  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1       -2.978   2.224   0.947  0.00  0.00    -0.232 NA
BRANCH  18  27
ATOM     27  C   LIG    1       -2.406   0.017  -0.108  0.00  0.00    +0.074 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.497  -0.618   0.758  0.00  0.00    +0.008 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.643  -2.128   0.534  0.00  0.00    +0.000 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -1.888  -2.847   2.242  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -2.393  -2.966   0.813  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 9