REMARK  Name = BDB014265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.704  -0.163   0.384  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1        1.538  -0.520  -0.654  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        1.215  -0.818  -1.570  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.853  -0.410  -0.271  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.857   0.006   1.054  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.994   0.204   1.763  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        5.137  -0.051   1.095  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        5.228  -0.461  -0.226  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.050  -0.631  -0.956  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.512   0.163   1.460  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.027  -1.079  -2.362  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        3.138  -1.777  -2.820  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        5.061  -0.615  -3.092  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        5.559   0.114  -2.677  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.789  -0.181   0.240  0.00  0.00    +0.196 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.405   1.206   0.306  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.262   2.187  -0.692  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -0.348   1.938  -2.139  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -1.863   3.445  -0.545  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.607   3.748   0.594  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.752   2.795   1.595  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.156   1.540   1.454  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
BRANCH  15  23
ATOM     23  O   LIG    1       -1.085  -0.817  -1.007  0.00  0.00    -0.366 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.975  -1.927  -0.913  0.00  0.00    +0.161 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.382  -2.650  -0.738  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -3.416  -1.479  -0.687  0.00  0.00    +0.025 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 7