REMARK  Name = BDB045994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.913  -1.167  -1.572  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.662  -0.668  -1.229  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.747  -0.957  -0.107  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.649  -0.117  -0.227  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.679   0.649  -1.456  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.918  -1.796   0.757  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.009   0.287  -2.029  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.580   0.774  -3.193  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.831   0.290  -3.560  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.485  -0.665  -2.762  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.447  -0.263   0.596  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.488  -1.339   0.036  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.739  -1.474   0.903  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.441  -0.186   1.028  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        1.566   0.829   1.639  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.314   1.049   0.790  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.680  -0.366   1.808  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.612   0.823   1.729  0.00  0.00    -0.031 A 
ATOM     19  C   LIG    1        5.059   1.299   0.492  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.921   2.384   0.468  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        6.365   3.016   1.575  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        5.927   2.538   2.759  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        5.064   1.460   2.888  0.00  0.00    +0.024 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  27
ATOM     24  N   LIG    1       -5.348  -2.581   0.408  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -5.883  -3.325   0.835  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.431  -2.388   0.808  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.730  -2.167  -0.829  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -6.762  -2.619  -1.318  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4