REMARK  Name = BDB031696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921   1.155   1.972  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.710   1.815   0.746  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.464   1.546   0.032  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.444   0.672   0.479  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.453   0.687  -0.538  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        2.119   1.524  -1.524  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.252   0.027   1.715  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        0.925   2.010  -1.166  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.474   2.667  -1.790  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.077   0.283   2.440  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.797  -0.974  -1.033  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.239  -0.581   0.193  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.862   0.408   0.941  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.554   1.054   2.262  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.175   1.417   2.775  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.703   2.012   2.477  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.526   1.915   1.369  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.372   2.454   1.272  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.853   2.729   3.453  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -2.954   0.277   3.399  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.050   0.973   0.456  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.629   0.610  -0.741  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.985  -0.378  -1.493  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.562  -2.347  -2.964  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.091  -1.951  -1.682  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.579  -0.053  -0.429  0.00  0.00    -0.278 N 
ATOM     27  H   LIG    1        3.686  -0.668   0.369  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.583  -0.337  -1.386  0.00  0.00    +0.187 A 
ATOM     29  C   LIG    1        5.747  -1.019  -0.960  0.00  0.00    +0.256 A 
ATOM     30  N   LIG    1        6.786  -1.325  -1.777  0.00  0.00    -0.217 NA
ATOM     31  C   LIG    1        6.640  -0.913  -3.054  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.514  -0.240  -3.493  0.00  0.00    +0.133 A 
ATOM     33  N   LIG    1        4.477   0.055  -2.677  0.00  0.00    -0.234 NA
BRANCH  29  34
ATOM     34  O   LIG    1        5.789  -1.415   0.371  0.00  0.00    -0.477 OA
ATOM     35  C   LIG    1        7.024  -2.029   0.727  0.00  0.00    +0.279 C 
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5