REMARK  Name = BDB014487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.580   3.094   0.622  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.739   1.924   1.322  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.669   1.504   1.343  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.522   3.614   0.451  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.868   3.736   0.079  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.056   2.955   0.030  0.00  0.00    -0.481 OA
BRANCH   6  16
ATOM      7  C   LIG    1       -4.388   1.206   1.684  0.00  0.00    +0.129 C 
ATOM      8  N   LIG    1       -3.463   0.290   0.995  0.00  0.00    -0.324 N 
ATOM      9  C   LIG    1       -3.204   0.587  -0.381  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -3.024  -0.453  -1.327  0.00  0.00    +0.145 A 
ATOM     11  C   LIG    1       -2.797  -0.187  -2.681  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -2.701   1.124  -3.131  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.805   2.171  -2.222  0.00  0.00    +0.048 A 
ATOM     14  O   LIG    1       -3.066  -1.796  -1.016  0.00  0.00    -0.488 OA
ATOM     15  C   LIG    1       -2.896  -2.025   0.382  0.00  0.00    +0.248 C 
ATOM     16  C   LIG    1       -3.012   1.909  -0.860  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1       -3.824  -1.129   1.183  0.00  0.00    +0.146 C 
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.358   1.158   1.893  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.425   0.647   0.894  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.367   1.694   0.620  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.847   2.506   0.427  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        0.806   0.101  -0.419  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.579  -0.781  -1.312  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.008  -0.471  -1.439  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.909  -1.147  -0.425  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.480  -2.276   0.298  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        4.352  -2.900   1.201  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.650  -2.419   1.372  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.083  -1.309   0.651  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.061  -2.766   0.160  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.219  -0.678  -0.245  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        1.371  -2.214  -1.091  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8