REMARK  Name = BDB021873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.618   0.967  -0.551  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.121  -0.196   0.050  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.483  -0.347  -0.094  0.00  0.00    -0.263 N 
ATOM      4  H   LIG    1       -2.804  -0.164  -1.038  0.00  0.00    +0.157 HD
ATOM      5  O   LIG    1       -0.391  -1.018   0.600  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.613   0.897   0.057  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.881  -0.292  -0.369  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.667   0.123  -1.199  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.835   1.228  -0.518  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.331   1.545   0.896  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.840   1.800   0.913  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.003   0.695   0.495  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.888   0.632  -0.762  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.289  -0.547   1.375  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.207   0.474   3.708  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        4.629  -0.564   2.757  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.275  -1.308   0.583  0.00  0.00    +0.119 A 
ATOM     18  C   LIG    1       -4.323  -1.900  -0.156  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1       -5.144  -2.855   0.449  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -4.949  -3.202   1.787  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.942  -2.588   2.532  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -3.100  -1.644   1.935  0.00  0.00    +0.145 A 
BRANCH  18  23
ATOM     23  O   LIG    1       -4.441  -1.471  -1.458  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -5.443  -2.084  -2.257  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
BRANCH  22  25
ATOM     25  O   LIG    1       -2.214  -0.934   2.706  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -1.280  -1.780   3.376  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -1.490   2.099  -0.884  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.127   1.980  -2.251  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -3.507   2.187  -2.402  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.108   2.089  -3.659  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.336   1.792  -4.779  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.963   1.597  -4.646  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.361   1.694  -3.390  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9