REMARK  Name = BDB030276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.627  -0.703   2.802  0.00  0.00    +0.018 C 
ATOM      2  C   LIG    1       -2.447  -0.010   1.471  0.00  0.00    +0.019 C 
ATOM      3  C   LIG    1       -1.253  -0.447   0.651  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1        0.236  -0.544   0.579  0.00  0.00    +0.113 C 
ATOM      5  N   LIG    1        0.585   0.811   0.142  0.00  0.00    -0.296 N 
ATOM      6  C   LIG    1        1.779   1.260  -0.395  0.00  0.00    +0.267 C 
ATOM      7  O   LIG    1        1.883   2.421  -0.799  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.529   1.732   0.365  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1       -1.309   0.944   1.352  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -3.698   0.359   0.758  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -4.523  -0.649   0.043  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -5.591   0.247  -0.447  0.00  0.00    +0.144 C 
ATOM     13  C   LIG    1       -6.232   0.067  -1.794  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -7.025  -0.194  -0.543  0.00  0.00    +0.055 C 
ATOM     15  O   LIG    1       -5.341   1.601  -0.008  0.00  0.00    -0.387 OA
ATOM     16  N   LIG    1       -4.133   1.577   0.743  0.00  0.00    -0.093 NA
ENDBRANCH   2  10
BRANCH   6  17
ATOM     17  C   LIG    1        2.939   0.342  -0.480  0.00  0.00    +0.147 A 
ATOM     18  N   LIG    1        3.002  -0.886   0.077  0.00  0.00    -0.169 NA
ATOM     19  N   LIG    1        4.231  -1.335  -0.233  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.507  -2.256   0.087  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1        4.964  -0.449  -0.956  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        4.167   0.649  -1.141  0.00  0.00    +0.057 A 
BRANCH  21  23
ATOM     23  C   LIG    1        6.400  -0.654  -1.480  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        7.462   0.344  -1.106  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        7.485  -1.032  -0.507  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH   6  17
TORSDOF 3