REMARK  Name = BDB008957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.380  -0.917  -0.028  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.608  -0.071   0.114  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.985   0.527   1.442  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -3.109   1.564   1.353  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -4.204   1.119   0.393  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.637   0.887  -1.008  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.347   0.116  -0.994  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -1.907  -0.461  -2.288  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -2.542  -0.286  -3.324  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -0.756  -1.198  -2.254  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -0.439  -1.605  -3.127  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -0.002  -1.452  -1.153  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.447  -1.249   1.217  0.00  0.00    +0.095 C 
BRANCH  13  15
ATOM     14  C   LIG    1        2.792  -0.497   0.475  0.00  0.00    +0.151 A 
ATOM     15  C   LIG    1        1.915  -1.488   0.941  0.00  0.00    -0.009 A 
ATOM     16  C   LIG    1        2.445  -2.773   1.136  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.787  -3.028   0.871  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.572  -1.987   0.416  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        4.112  -0.736   0.219  0.00  0.00    -0.248 NA
BRANCH  14  20
ATOM     20  C   LIG    1        2.337   0.919   0.255  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1        1.331   1.411   0.747  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1        2.842   2.921  -0.850  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        3.200   1.569  -0.571  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4