REMARK  Name = BDB052911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.463   3.169   0.599  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.472   2.309  -0.128  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.974   1.356  -1.239  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -1.932   0.169  -1.528  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -3.323   0.658  -1.360  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -3.588   1.734  -0.550  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -4.942   1.904  -0.589  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -5.489   2.601  -0.099  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -5.567   1.020  -1.399  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -4.571   0.253  -1.858  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -2.733   2.497   0.165  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.711  -1.043  -0.671  0.00  0.00    +0.113 A 
ATOM     13  O   LIG    1       -1.670  -0.859   0.684  0.00  0.00    -0.467 OA
ATOM     14  C   LIG    1       -1.518  -2.085   1.248  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -1.413  -3.051   0.276  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -1.536  -2.380  -0.965  0.00  0.00    +0.045 A 
ENDBRANCH   4  12
BRANCH   3  17
ATOM     17  C   LIG    1        0.485   0.938  -1.158  0.00  0.00    +0.227 C 
ATOM     18  N   LIG    1        0.864   0.341   0.028  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        0.117   0.119   0.683  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.221   1.133  -2.123  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.147  -0.111   0.396  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.257  -0.777   1.625  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.492  -1.259   2.074  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.632  -1.068   1.286  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.538  -0.400   0.060  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.296   0.077  -0.378  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.931  -1.571   1.748  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        5.964  -2.167   2.834  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        6.918  -1.370   1.026  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 4