REMARK  Name = BDB056724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.170   0.370   1.574  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        1.047  -0.586   0.499  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.099  -0.554  -0.497  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.383  -1.668  -1.282  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -0.412  -1.928  -2.402  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -1.449  -1.108  -2.717  0.00  0.00    -0.219 NA
ATOM      7  C   LIG    1       -1.700  -0.043  -1.921  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1        1.466  -2.350  -0.784  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1       -0.952   0.311  -0.798  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1        1.863  -1.677   0.281  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -2.744   0.765  -2.330  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.786   0.903  -1.438  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -4.355  -0.187  -0.770  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -5.417   0.055   0.085  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1       -6.159  -0.929   0.933  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -7.426  -0.131   1.277  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.027   1.352   1.272  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -5.911   1.351   0.275  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1       -5.361   2.433  -0.391  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.297   2.200  -1.266  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1        3.032  -2.042   1.141  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.886  -0.905   1.305  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.852  -0.676   0.363  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        5.801   0.284   0.728  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        6.840   0.626  -0.146  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        6.925   0.005  -1.396  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        5.974  -0.945  -1.767  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.939  -1.283  -0.891  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.866   1.635   0.209  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        8.801   1.977  -0.490  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.674   2.171   1.427  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        8.415   2.807   1.521  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7