REMARK  Name = BDB056159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.240  -1.714  -0.282  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.279  -0.649  -0.635  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.617  -0.258   0.562  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.309  -1.385   1.234  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.286  -2.384   1.619  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.674  -2.836   0.492  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.971  -1.004  -2.500  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        3.395  -0.885  -1.058  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1        2.534  -1.266  -0.001  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.028  -1.179   1.309  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.313  -0.699   1.579  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        5.140  -0.281   0.536  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.684  -0.386  -0.781  0.00  0.00    +0.018 A 
BRANCH  12  14
ATOM     14  C   LIG    1        6.497   0.233   0.868  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        7.022   1.169  -0.004  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1        6.422   1.574  -0.710  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        7.067  -0.151   1.884  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        8.295   1.777   0.219  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        9.518   1.258  -0.485  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        8.952   2.597  -0.858  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   1   9
BRANCH   4  21
ATOM     21  C   LIG    1       -2.351  -1.998   0.394  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.529  -1.079   0.141  0.00  0.00    -0.031 A 
ATOM     23  C   LIG    1       -4.232  -0.513   1.215  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -5.317   0.328   0.977  0.00  0.00    +0.076 A 
ATOM     25  N   LIG    1       -6.021   0.856   2.060  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1       -5.825   0.558   3.006  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1       -7.054   1.738   1.881  0.00  0.00    +0.258 C 
ATOM     28  C   LIG    1       -7.190   2.265   0.444  0.00  0.00    +0.256 C 
ATOM     29  O   LIG    1       -6.828   1.376  -0.609  0.00  0.00    -0.478 OA
ATOM     30  C   LIG    1       -8.618   2.727   0.180  0.00  0.00    +0.062 C 
ATOM     31  O   LIG    1       -7.734   2.121   2.830  0.00  0.00    -0.271 OA
ATOM     32  C   LIG    1       -5.727   0.606  -0.332  0.00  0.00    +0.146 A 
ATOM     33  C   LIG    1       -5.050   0.034  -1.418  0.00  0.00    -0.007 A 
ATOM     34  C   LIG    1       -5.497   0.297  -2.828  0.00  0.00    +0.047 C 
ATOM     35  C   LIG    1       -3.951  -0.804  -1.171  0.00  0.00    +0.012 A 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5