REMARK  Name = BDB026519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.935   0.005  -0.620  0.00  0.00    -0.276 N 
ATOM      2  C   LIG    1       -2.986  -1.173   0.235  0.00  0.00    +0.098 C 
ATOM      3  C   LIG    1       -1.538  -1.691   0.105  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1       -1.354  -3.166   0.452  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -2.420  -4.067  -0.155  0.00  0.00    +0.002 C 
ATOM      6  C   LIG    1       -3.813  -3.585   0.226  0.00  0.00    +0.002 C 
ATOM      7  N   LIG    1       -1.197  -1.292  -1.258  0.00  0.00    -0.278 N 
ATOM      8  C   LIG    1       -4.045  -2.166  -0.270  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.944  -0.148  -1.588  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1       -1.717   0.598  -2.527  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -4.018   0.960  -0.754  0.00  0.00    +0.144 C 
BRANCH  11  15
ATOM     12  C   LIG    1       -5.121   2.712   3.036  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.872   2.985   2.470  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -3.521   2.419   1.243  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -4.413   1.572   0.567  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1       -5.663   1.303   1.140  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -6.015   1.869   2.368  0.00  0.00    +0.019 A 
BRANCH  12  19
ATOM     18  N   LIG    1       -5.779   3.756   5.318  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       -5.483   3.291   4.296  0.00  0.00    +0.099 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  C   LIG    1        0.115  -1.524  -1.864  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.181  -0.494  -1.426  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.059   0.701  -2.216  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        0.105   0.866  -2.374  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.605  -1.076  -1.622  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.666  -0.417  -0.825  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        3.785   1.019  -1.157  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.003   1.696  -0.556  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.093   0.947  -0.081  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.212   1.603   0.450  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.262   2.996   0.484  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.193   3.743  -0.005  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.025  -0.556  -0.089  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.071   3.097  -0.525  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.959  -1.084  -1.056  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 8