REMARK  Name = BDB037061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.109  -1.206  -0.065  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.273  -1.356  -0.114  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.338  -0.372   0.096  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -2.528  -1.035  -0.039  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -2.332  -2.336  -0.412  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -3.160  -3.186  -0.677  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.148   0.814   0.302  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.889  -2.554  -0.438  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.172  -3.696  -0.724  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.216  -3.598  -0.661  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.843  -2.375  -0.325  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.838  -0.403  -0.048  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.021   0.367  -1.360  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.395   0.126  -2.391  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.002   1.335  -1.351  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.133   1.837  -2.219  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.713   1.802  -0.274  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.511   2.727  -0.396  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.507   1.082   1.038  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.099   0.515   1.142  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        1.685  -0.004   0.340  0.00  0.00    -0.341 N 
ATOM     22  H   LIG    1        1.009   0.769   0.306  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.030   0.403  -0.082  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1        3.010   0.809  -1.557  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1        3.465   1.569   0.832  0.00  0.00    +0.021 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.975   1.104   0.743  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.866   2.131   0.577  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5