REMARK  Name = BDB021694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.022   0.586  -0.490  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.148  -0.243  -0.614  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.345   0.442  -0.602  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.321   1.329  -0.122  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.051  -1.464  -0.703  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.631  -0.067  -0.872  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.725   0.746  -0.548  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        6.045   0.333  -0.799  0.00  0.00    -0.046 A 
ATOM      9  C   LIG    1        7.185   1.241  -0.425  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.272  -0.923  -1.391  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        7.662  -1.418  -1.684  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.172  -1.727  -1.724  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.865  -1.302  -1.470  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -3.616  -1.579  -0.067  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -2.447  -2.074   0.674  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.447  -0.934   0.891  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.316  -0.025  -0.344  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -1.787  -0.740  -1.611  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -3.228  -1.243  -1.453  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.788  -2.484   0.000  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -5.937  -2.034  -0.925  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.361  -2.684   1.432  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.056  -0.343   2.465  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.010  -1.472   2.116  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        0.052   1.991  -0.916  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.513   2.948   0.161  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        1.324   4.041  -0.184  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        1.754   4.944   0.790  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.369   4.773   2.118  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.551   3.703   2.472  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.120   2.799   1.499  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7