REMARK  Name = BDB059495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.030  -1.579   0.789  0.00  0.00    +0.260 C 
ATOM      2  N   LIG    1       -0.595  -1.252   2.055  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1       -0.984  -0.430   2.497  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.353  -2.263   0.027  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -7.157  -1.036  -1.026  0.00  0.00    +0.105 C 
ATOM      6  N   LIG    1       -6.486   0.246  -1.235  0.00  0.00    -0.301 NA
ATOM      7  C   LIG    1       -5.126   0.060  -1.804  0.00  0.00    +0.121 C 
ATOM      8  C   LIG    1       -4.135  -0.309  -0.743  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -4.345  -0.082   0.600  0.00  0.00    +0.022 A 
ATOM     10  N   LIG    1       -3.261  -0.522   1.300  0.00  0.00    -0.354 N 
ATOM     11  H   LIG    1       -3.174  -0.525   2.308  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -2.315  -1.019   0.424  0.00  0.00    +0.102 A 
ATOM     13  C   LIG    1       -5.592   0.496   1.167  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1       -2.858  -0.909  -0.851  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -6.453   1.062   0.005  0.00  0.00    +0.090 C 
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1        0.735  -1.610   2.519  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.754  -0.476   2.332  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.237   0.721   2.944  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        1.747   1.444   2.523  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.092  -0.182   0.854  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.004   0.984   0.725  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.067   1.443  -0.681  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.242   0.919  -1.472  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.501   0.915  -0.849  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.639   0.534  -1.561  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.518   0.137  -2.892  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.267   0.129  -3.513  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.540   1.338   0.594  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.130   0.526  -2.808  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.337   0.705   1.315  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6