REMARK  Name = BDB057363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.296  -0.538   0.322  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1        0.193  -0.643   0.286  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.923  -1.769  -0.035  0.00  0.00    +0.147 A 
ATOM      4  N   LIG    1        2.272  -1.743  -0.163  0.00  0.00    -0.197 NA
ATOM      5  C   LIG    1        2.925  -0.606   0.095  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1        2.312   0.515   0.466  0.00  0.00    -0.222 NA
ATOM      7  N   LIG    1        0.373  -3.032  -0.233  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1        1.122  -3.697  -0.388  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -0.714  -3.523   0.383  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -0.852  -4.815   0.696  0.00  0.00    -0.154 NA
ATOM     11  N   LIG    1       -2.044  -4.873   1.313  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -2.368  -5.776   1.642  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.684  -3.669   1.399  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -4.025  -3.513   1.998  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -1.833  -2.773   0.798  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        0.967   0.471   0.557  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1       -2.186  -1.448   0.580  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1       -3.595   4.669  -0.792  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.021   3.309  -0.522  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -3.334   2.632   0.664  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.779   1.379   0.931  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.887   0.806   0.019  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.573   1.469  -1.172  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.131   2.723  -1.433  0.00  0.00    +0.004 A 
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  N   LIG    1        4.294  -0.669  -0.039  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1        4.495  -1.522  -0.549  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.079   0.491  -0.445  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        5.198   1.532   0.665  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1        4.601   1.094  -1.764  0.00  0.00    +0.027 C 
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 3