REMARK  Name = BDB050319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.698   0.414  -1.732  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        3.318   0.461  -1.486  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        2.404  -0.003  -2.442  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        2.876  -0.536  -3.645  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        4.248  -0.584  -3.897  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        5.154  -0.109  -2.947  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.944   0.057  -2.135  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        0.565  -0.017  -0.891  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1       -0.030   0.192  -3.289  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1       -0.834   0.024  -0.780  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -1.189  -0.085   0.598  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.689  -0.029   0.714  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -3.451  -1.200   0.700  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -4.848  -1.147   0.792  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.528   0.077   0.893  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -4.746   1.248   0.892  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.352   1.198   0.800  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -7.061   0.171   0.995  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -7.773  -1.200   0.990  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -7.451   0.882   2.309  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -7.612   0.976  -0.202  0.00  0.00    +0.015 C 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  C   LIG    1        5.675   0.901  -0.689  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.888  -0.092   0.463  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.608  -1.347  -0.031  0.00  0.00    +0.334 C 
ATOM     25  O   LIG    1        6.223  -2.498   0.116  0.00  0.00    -0.248 OA
BRANCH  24  26
ATOM     26  O   LIG    1        7.796  -1.108  -0.625  0.00  0.00    -0.479 OA
ATOM     27  H   LIG    1        8.146  -2.002  -0.820  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  O   LIG    1        6.632   0.586   1.484  0.00  0.00    -0.365 OA
BRANCH  28  30
ATOM     29  C   LIG    1        5.343   0.351   3.526  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        6.587  -0.057   2.757  0.00  0.00    +0.157 C 
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 11