REMARK  Name = BDB008568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.976  -1.851  -1.421  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.994  -1.793  -0.463  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.666  -1.804   0.757  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.923  -1.749   1.960  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1        0.516  -1.661   1.858  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.154  -1.654   0.627  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        2.553  -1.728   3.325  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        4.047  -1.862   0.400  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        5.229  -1.883   1.296  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        0.597  -1.720  -0.559  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.225  -1.899  -0.926  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.673  -1.529   0.535  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -2.445  -2.507   1.432  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -2.118  -0.115   0.622  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -2.170   0.520   1.873  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -2.087  -0.099   2.939  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.386   2.048   1.902  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -1.460   2.647   2.832  0.00  0.00    -0.365 OA
ATOM     19  C   LIG    1       -2.031   3.708   3.604  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -3.054   4.530   2.806  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1       -4.205   3.739   2.336  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -4.988   3.858   2.978  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.859   2.303   2.284  0.00  0.00    +0.122 C 
ENDBRANCH  15  17
BRANCH  14  24
ATOM     24  C   LIG    1       -2.089   0.634  -0.620  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -3.324   1.317  -1.159  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -2.752   0.145  -1.887  0.00  0.00    +0.024 C 
ENDBRANCH  14  24
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1        2.790  -1.878  -2.860  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.566  -0.488  -3.438  0.00  0.00    +0.051 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.440  -0.539  -4.954  0.00  0.00    +0.161 C 
BRANCH  29  31
ATOM     30  C   LIG    1        2.057   0.821  -6.840  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        2.145   0.774  -5.422  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8