REMARK  Name = BDB023667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.276  -0.628  -0.223  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -0.525   0.453   0.256  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.805   0.258   0.610  0.00  0.00    +0.056 A 
ATOM      4  N   LIG    1        1.581   1.318   1.089  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        1.144   2.196   1.345  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.927   1.219   1.339  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.636  -0.015   0.770  0.00  0.00    +0.070 C 
ATOM      8  C   LIG    1        3.932   0.210  -0.724  0.00  0.00    +0.133 C 
ATOM      9  N   LIG    1        5.359   0.640  -0.808  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        5.917   0.721   0.563  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.755  -1.248   1.003  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        5.028  -0.205   1.379  0.00  0.00    +0.038 C 
ATOM     13  O   LIG    1        3.511   2.127   1.926  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.353  -1.018   0.504  0.00  0.00    +0.063 A 
ATOM     15  N   LIG    1        0.660  -2.083   0.044  0.00  0.00    -0.257 NA
ATOM     16  C   LIG    1       -0.628  -1.862  -0.315  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1       -5.301  -0.160  -1.385  0.00  0.00    +0.215 A 
ATOM     18  N   LIG    1       -5.052  -0.683  -0.167  0.00  0.00    -0.218 NA
ATOM     19  C   LIG    1       -3.753  -0.830   0.205  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.537  -1.410   1.575  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -2.675  -0.467  -0.620  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -2.985   0.075  -1.876  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -4.311   0.232  -2.265  0.00  0.00    +0.068 A 
BRANCH  17  25
ATOM     24  C   LIG    1       -7.564  -0.419  -0.854  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1       -6.602   0.012  -1.811  0.00  0.00    -0.480 OA
ENDBRANCH  17  25
ENDBRANCH   1  21
BRANCH   9  26
ATOM     26  C   LIG    1        5.886   1.272  -1.866  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1        6.331   1.819  -2.783  0.00  0.00    -0.174 NA
ENDBRANCH   9  26
TORSDOF 3