REMARK  Name = BDB003816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.458   1.529  -0.696  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.563   0.078  -0.536  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.448  -0.761  -0.450  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.504  -1.903   0.004  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.852  -0.492  -0.089  0.00  0.00    +0.162 C 
ATOM      6  C   LIG    1       -3.017  -0.293   1.438  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.321   0.484   2.098  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.044  -0.943   2.085  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.087  -0.589   3.034  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.311  -1.131   1.591  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.294  -0.756   2.226  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.430  -1.794   0.244  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -5.262  -0.826  -0.916  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1       -4.052   0.107  -0.835  0.00  0.00    +0.032 C 
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1        0.859  -0.282  -0.952  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        1.976  -0.374  -0.114  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        3.240   0.051  -0.555  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        3.346   0.552  -1.866  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.235   0.621  -2.712  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.989   0.197  -2.258  0.00  0.00    +0.013 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.417  -0.028   0.326  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        5.599  -0.658  -0.098  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.717  -0.732   0.737  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.672  -0.176   2.013  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.511   0.452   2.454  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.394   0.525   1.618  0.00  0.00    +0.008 A 
ENDBRANCH  17  21
ENDBRANCH   3  15
TORSDOF 3