REMARK  Name = BDB036852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289  -0.387   0.251  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.013   0.581  -0.449  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.434   1.382  -1.525  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.812  -1.329   0.841  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.482   0.489  -0.434  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.990  -0.756  -1.186  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.424  -1.234  -2.168  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.207  -1.252  -0.776  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.546  -2.057  -1.285  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.070  -0.714   0.143  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.194  -1.183   0.306  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.609   0.532   0.862  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.093   0.583   0.967  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1        3.174   0.941   0.900  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1        1.786   0.868   0.835  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        1.184  -0.283   0.311  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        1.948  -1.377  -0.110  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        3.336  -1.305  -0.045  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        3.938  -0.143   0.453  0.00  0.00    +0.091 A 
BRANCH  14  21
ATOM     20  C   LIG    1        3.175   3.095   1.912  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.902   1.998   1.371  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
BRANCH  18  22
ATOM     22  O   LIG    1        4.210  -2.283  -0.431  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1        3.646  -3.506  -0.890  0.00  0.00    +0.277 C 
ENDBRANCH  18  22
ENDBRANCH   1  16
TORSDOF 4