REMARK  Name = BDB056784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.272   2.155   1.509  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.419   1.050   1.360  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.051   1.318   1.222  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.466   2.610   1.243  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.827   2.596   1.082  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.165   1.327   0.948  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.399   3.700   1.418  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        1.054   0.516   1.050  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.033  -0.926   0.967  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.771   3.458   1.558  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.634   2.016   1.681  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -4.672   0.238  -2.796  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.861   0.202  -1.303  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -5.726  -0.730  -0.686  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.802  -0.774   0.724  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -6.636  -1.804   1.439  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -5.102   0.172   1.490  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -4.279   1.109   0.873  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -4.167   1.136  -0.516  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -6.338  -1.738  -1.456  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -7.166  -2.136  -1.026  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -6.517  -1.468  -2.417  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        3.558   0.825   0.748  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.561   0.029  -0.437  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.755  -0.506  -0.831  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        5.980  -0.352  -0.181  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        7.126  -0.965  -0.711  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        7.048  -1.754  -1.861  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        5.825  -1.904  -2.509  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.688  -1.276  -1.997  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.438  -0.820  -0.045  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        9.199  -1.752   0.138  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        8.709   0.457   0.299  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        8.098   1.120  -0.075  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 8