REMARK  Name = BDB027923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.630  -1.014   0.027  0.00  0.00    -0.332 N 
ATOM      2  H   LIG    1       -0.861  -1.361  -0.908  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.649  -0.062   0.523  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.038   0.944  -0.568  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.527   2.058  -0.672  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.988   0.526  -1.471  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -3.234   1.204  -2.180  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.881  -0.501  -1.313  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.855  -0.609  -2.053  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.588  -1.496  -0.217  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.893  -0.835   0.964  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  C   LIG    1        2.633   0.468   1.109  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        1.320  -0.021   1.139  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.694  -0.508  -0.017  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        1.437  -0.520  -1.213  0.00  0.00    +0.062 A 
ATOM     16 CL   LIG    1        0.731  -1.118  -2.675  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        2.745  -0.035  -1.253  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.342   0.463  -0.092  0.00  0.00    +0.047 A 
BRANCH  12  20
ATOM     19  C   LIG    1        4.420   1.444   2.339  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        3.102   0.911   2.316  0.00  0.00    -0.495 OA
ENDBRANCH  12  20
ENDBRANCH   1  14
TORSDOF 3