REMARK  Name = BDB048452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198  -0.362   1.846  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.152   1.549   0.867  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1        0.308   1.004   1.815  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1        0.058   1.968   2.770  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        0.762   3.081   2.322  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        0.723   4.271   3.063  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.029   4.308   4.243  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.730   3.181   4.675  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.703   1.985   3.948  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.422   2.807   1.154  0.00  0.00    -0.232 NA
BRANCH   2  11
ATOM     11  C   LIG    1        1.681   0.822  -0.328  0.00  0.00    +0.074 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.977   0.058  -0.037  0.00  0.00    +0.008 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.176   0.981   0.208  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.468   0.225   0.537  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.970  -0.746  -0.536  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.864  -1.054  -2.871  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        6.258  -0.074  -1.878  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.343  -0.598   0.888  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -1.367  -1.769   0.116  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -2.424  -2.025  -0.763  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.495  -1.128  -0.885  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -3.473   0.036  -0.103  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -2.418   0.294   0.778  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.606  -1.394  -1.816  0.00  0.00    -0.006 A 
ATOM     25  C   LIG    1       -5.449  -2.523  -1.731  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -6.433  -2.754  -2.709  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -6.615  -1.855  -3.758  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.810  -0.725  -3.843  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.816  -0.500  -2.886  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.375  -3.533  -0.644  0.00  0.00    +0.242 C 
ATOM     31  O   LIG    1       -5.440  -4.732  -0.884  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -5.292  -3.070   0.637  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -5.234  -2.088   0.869  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -5.238  -3.750   1.382  0.00  0.00    +0.145 HD
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 10