REMARK  Name = BDB021756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.011   0.659  -0.820  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.909  -0.152  -0.144  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.229   0.098  -0.451  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.400   0.415  -1.391  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.552  -1.031   0.637  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -4.063  -0.555  -0.100  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.493   0.455   0.824  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.967   0.594   0.782  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.459   0.394  -0.646  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.884  -0.980  -1.188  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.063  -1.583  -0.413  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.365  -1.085   0.401  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -6.372   0.067   0.591  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.971  -2.165  -0.539  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.786  -3.866  -0.967  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.359  -2.671  -0.127  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        3.364  -0.382   0.237  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        4.606  -0.261  -0.400  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        5.785  -0.694   0.217  0.00  0.00    +0.123 A 
ATOM     20  C   LIG    1        5.722  -1.238   1.498  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.490  -1.351   2.147  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.317  -0.922   1.521  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  O   LIG    1        6.913  -0.510  -0.533  0.00  0.00    -0.489 OA
BRANCH  23  24
ATOM     24  C   LIG    1        8.152  -1.066  -0.080  0.00  0.00    +0.167 C 
ATOM     25  C   LIG    1        8.980  -1.365  -1.327  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        8.882  -0.057   0.800  0.00  0.00    +0.051 C 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1        0.334   1.937  -1.458  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.093   3.131  -0.562  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.946   4.032  -0.840  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -1.171   5.131  -0.010  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.362   5.343   1.104  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.673   4.455   1.391  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.900   3.355   0.563  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9