REMARK  Name = BDB002851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.951  -0.377   0.458  0.00  0.00    -0.250 N 
ATOM      2  C   LIG    1       -0.166   0.766   0.282  0.00  0.00    +0.222 A 
ATOM      3  C   LIG    1        1.159   0.412   0.445  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        1.204  -0.959   0.753  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -0.093  -1.419   0.824  0.00  0.00    +0.202 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -5.151  -0.676  -0.112  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -4.317  -1.760  -0.391  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.934  -1.665  -0.209  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.366  -0.475   0.266  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -3.202   0.616   0.531  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.588   0.513   0.348  0.00  0.00    +0.047 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -7.369   0.177  -0.090  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -6.481  -0.906  -0.331  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  O   LIG    1       -0.681   1.941  -0.087  0.00  0.00    -0.492 OA
ATOM     15  H   LIG    1        0.054   2.461  -0.456  0.00  0.00    +0.294 HD
ENDBRANCH   2  14
BRANCH   3  16
ATOM     16  N   LIG    1        2.190   1.292   0.374  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.994   2.265   0.590  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.567   1.077   0.145  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.058  -0.048  -0.529  0.00  0.00    +0.056 A 
ATOM     20  C   LIG    1        5.440  -0.225  -0.695  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        6.349   0.709  -0.186  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.868   1.827   0.491  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.491   2.005   0.656  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  N   LIG    1        5.939  -1.403  -1.415  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        5.108  -2.211  -1.852  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        7.166  -1.519  -1.546  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   3  16
BRANCH   5  27
ATOM     27  O   LIG    1       -0.493  -2.624   1.234  0.00  0.00    -0.493 OA
ATOM     28  H   LIG    1       -1.412  -2.561   1.550  0.00  0.00    +0.294 HD
ENDBRANCH   5  27
TORSDOF 7