REMARK  Name = BDB055375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.506  -4.258  -0.148  0.00  0.00    -0.282 NA
ATOM      2  H   LIG    1        1.751  -4.939  -0.282  0.00  0.00    +0.188 HD
ATOM      3  C   LIG    1        2.081  -3.028  -0.055  0.00  0.00    +0.145 A 
ATOM      4  N   LIG    1        3.007  -1.993   0.132  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        4.439  -2.323   0.231  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        5.288  -1.215  -0.389  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1        4.949   0.113   0.238  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1        3.599   0.375   0.605  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        3.296   1.603   1.221  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        4.311   2.521   1.403  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1        4.173   3.749   1.973  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        5.526   4.242   1.885  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        6.439   3.304   1.279  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        5.601   2.268   1.011  0.00  0.00    +0.167 A 
ATOM     15  C   LIG    1        5.955   1.076   0.424  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        2.570  -0.675   0.345  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        1.259  -0.376   0.271  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        0.249  -1.400   0.013  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        0.603  -2.697  -0.145  0.00  0.00    +0.101 A 
ENDROOT
BRANCH  18  20
ATOM     20  C   LIG    1       -1.177  -1.009  -0.065  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -1.774  -0.758  -1.306  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -3.122  -0.401  -1.369  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1       -3.860  -0.223  -0.195  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1       -3.274  -0.491   1.041  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -1.933  -0.877   1.109  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1       -3.668  -0.189  -2.608  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -4.416  -1.339  -3.010  0.00  0.00    +0.277 C 
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1       -5.179   0.143  -0.197  0.00  0.00    -0.486 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.373   1.504  -0.619  0.00  0.00    +0.167 C 
ATOM     30  C   LIG    1       -5.601   2.367   0.619  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.601   1.535  -1.523  0.00  0.00    +0.051 C 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  18  20
BRANCH  19  32
ATOM     32  C   LIG    1       -0.335  -3.738  -0.390  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -1.075  -4.609  -0.594  0.00  0.00    -0.191 NA
ENDBRANCH  19  32
TORSDOF 5