REMARK  Name = BDB036789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.186  -0.343   0.544  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.068  -1.170   0.009  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.730   0.690   0.501  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.790   1.589   1.328  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        4.831  -1.173   0.342  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        3.755  -0.949   0.890  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        3.009  -1.972   1.414  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        3.395  -2.892   1.249  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        1.648  -1.945   1.592  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        0.989  -2.979   1.490  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        0.992  -0.567   1.740  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        2.050   0.509   1.988  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        3.146   0.431   0.938  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -1.649   0.649  -0.660  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.036   0.651  -0.488  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -3.877   0.636  -1.601  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.330   0.616  -2.887  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -1.946   0.610  -3.062  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.103   0.626  -1.951  0.00  0.00    +0.017 A 
BRANCH  15  20
ATOM     20  O   LIG    1       -3.576   0.626   0.766  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -4.527   0.811   0.712  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   3  14
TORSDOF 3