REMARK  Name = BDB056338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.565   0.565   0.075  0.00  0.00    +0.177 C 
ATOM      2  C   LIG    1        0.450   0.096  -0.861  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1        0.694  -0.730  -1.748  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.830   0.589  -0.611  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.099   1.678   0.285  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -0.240   2.799   0.397  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.547   3.823   1.310  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.708   3.775   2.078  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.583   2.708   1.934  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1        0.897   2.954  -0.450  0.00  0.00    -0.268 N 
ATOM     11  C   LIG    1        1.228   4.156  -1.083  0.00  0.00    +0.217 C 
ATOM     12  O   LIG    1        2.375   4.419  -1.450  0.00  0.00    -0.276 OA
ATOM     13  C   LIG    1        0.107   5.125  -1.386  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.284   1.674   1.043  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.973   1.974  -0.328  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        3.677  -0.453   0.895  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        2.674  -0.385  -0.040  0.00  0.00    -0.301 N 
ATOM     18  H   LIG    1        2.658  -1.004  -0.846  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1        3.723   0.325   1.849  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        4.780  -1.507   0.619  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        4.194  -2.897   0.387  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        7.070  -1.769   1.398  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        5.684  -1.563   1.789  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        5.604  -0.669   2.287  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH   4  25
ATOM     25  C   LIG    1       -1.947  -0.040  -1.327  0.00  0.00    +0.149 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.569  -1.274  -0.681  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -3.776  -1.825  -1.214  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -4.345  -2.967  -0.591  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -5.536  -3.525  -1.086  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -6.178  -2.980  -2.195  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.635  -1.869  -2.825  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -3.718  -3.545   0.520  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -2.534  -3.018   1.022  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -4.452  -1.302  -2.343  0.00  0.00    +0.009 A 
ATOM     35  C   LIG    1       -1.964  -1.898   0.427  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 5