REMARK  Name = BDB036995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.485   0.136  -1.232  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.138  -0.120  -0.993  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.690  -0.033   0.221  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.957  -0.429  -0.124  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -2.049  -0.694  -1.459  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -3.029  -0.991  -2.116  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.312   0.316   1.325  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.710  -0.529  -2.014  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.289  -0.708  -3.318  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.054  -0.461  -3.589  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.922  -0.043  -2.561  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.087  -0.331   0.787  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.846   0.971   0.511  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.346   1.954  -0.033  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.141   1.017   0.979  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.641   1.880   0.811  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.877  -0.007   1.523  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.049   0.160   1.849  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.153  -1.313   1.754  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.044  -1.519   0.734  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1        2.252   1.995   0.038  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1        2.437   0.577  -0.300  0.00  0.00    -0.332 N 
BRANCH  22  23
ATOM     23  C   LIG    1        2.639  -0.313   0.858  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.019  -0.975   0.775  0.00  0.00    +0.034 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.159   0.027   0.950  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  N   LIG    1        6.459  -0.645   0.948  0.00  0.00    -0.330 NA
ATOM     27  H   LIG    1        6.477  -1.362   1.671  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        6.581  -1.136   0.062  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6