REMARK  Name = BDB003996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.725  -0.395   0.061  0.00  0.00    +0.317 C 
ATOM      2  O   LIG    1        2.522   0.323   1.277  0.00  0.00    -0.378 OA
ATOM      3  N   LIG    1        1.145   0.601   1.423  0.00  0.00    -0.088 NA
ATOM      4  C   LIG    1        0.510  -0.077   0.520  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1        1.371  -0.925  -0.348  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.965  -0.028   0.377  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.727   0.855   1.157  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -3.113   0.906   1.022  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.756   0.073   0.108  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.011  -0.812  -0.670  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.620  -0.865  -0.537  0.00  0.00    +0.013 A 
BRANCH   7  12
ATOM     12  O   LIG    1       -1.184   1.707   2.081  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -0.213   1.554   2.106  0.00  0.00    +0.292 HD
ENDBRANCH   7  12
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  O   LIG    1        3.746   1.629  -0.915  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1        3.362   0.475  -1.011  0.00  0.00    +0.349 C 
BRANCH  15  16
ATOM     16  O   LIG    1        3.532  -0.185  -2.180  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        3.976   0.477  -2.753  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4