REMARK  Name = BDB053739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.995   0.466   0.036  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.474   1.727  -0.341  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -0.645   2.705   0.208  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.271   2.056   1.032  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        1.216   2.710   1.754  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        1.240   4.047   1.607  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.404   4.772   0.777  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -0.565   4.098   0.041  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.044   0.664   0.944  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.738  -0.355   1.710  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.058  -0.631   1.368  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.779  -1.651   2.128  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.297  -1.407   2.121  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.904  -1.326   0.779  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.694  -0.682   0.822  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.944  -0.872  -0.240  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.806   0.019   0.290  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.163  -0.944   2.624  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.619   1.982  -1.164  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.454   3.073  -0.881  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.577   3.327  -1.674  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.876   2.495  -2.749  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.058   1.404  -3.031  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.935   1.143  -2.241  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.602  -0.638  -0.431  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.569  -2.455   1.517  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.441  -2.793   0.582  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -0.987  -1.867  -0.377  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        0.005  -2.213  -1.311  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        0.402  -1.317  -2.446  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        0.566  -3.490  -1.224  0.00  0.00    +0.130 A 
ATOM     32  F   LIG    1        1.510  -3.864  -2.101  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        0.162  -4.404  -0.257  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -0.849  -4.062   0.637  0.00  0.00    +0.010 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4