REMARK  Name = BDB065231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.777  -0.834  -0.514  0.00  0.00    -0.326 N 
ATOM      2  H   LIG    1       -0.891  -1.827  -0.699  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -5.620  -1.399   0.986  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -4.981  -1.699  -0.227  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -3.621  -1.415  -0.365  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -2.883  -0.829   0.695  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -3.536  -0.513   1.892  0.00  0.00    +0.080 A 
ATOM      8  N   LIG    1       -2.912   0.063   2.923  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -1.616   0.341   2.756  0.00  0.00    +0.223 A 
ATOM     10  N   LIG    1       -0.884   0.075   1.671  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -1.508  -0.518   0.644  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1       -4.887  -0.807   2.021  0.00  0.00    +0.078 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -7.638  -1.411   2.268  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.955  -1.712   1.059  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -5.761  -2.269  -1.201  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -5.184  -2.453  -2.486  0.00  0.00    +0.277 C 
ENDBRANCH   4  15
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.631  -0.429  -0.656  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        1.583  -1.089   0.349  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        2.381  -0.053   1.141  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.081   0.935   0.312  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        2.309   1.396  -0.854  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        0.814   1.086  -0.764  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.440   0.503  -0.048  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.290   1.608  -0.643  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        5.516   2.795   0.071  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.311   3.808  -0.467  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.892   3.644  -1.723  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.679   2.468  -2.441  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.884   1.454  -1.903  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 6