REMARK  Name = BDB012337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.750  -3.950   2.164  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -0.075  -3.119   1.141  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.145  -1.752   1.150  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.878  -1.457  -0.000  0.00  0.00    -0.182 N 
ATOM      5  N   LIG    1        1.043  -2.572  -0.775  0.00  0.00    -0.170 NA
ATOM      6  C   LIG    1        0.490  -3.556  -0.071  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.414  -0.193  -0.416  0.00  0.00    +0.158 A 
ATOM      8  N   LIG    1        1.310   0.883   0.409  0.00  0.00    -0.236 NA
ATOM      9  C   LIG    1        1.787   2.070  -0.018  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1        2.412   2.247  -1.234  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        2.545   1.129  -2.054  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        2.032  -0.106  -1.660  0.00  0.00    +0.063 A 
BRANCH  11  13
ATOM     13  C   LIG    1        3.192   1.235  -3.377  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        2.733   0.733  -4.386  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.356   1.917  -3.334  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.688   2.105  -2.436  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   4   7
BRANCH   3  17
ATOM     17  O   LIG    1       -0.194  -0.821   2.048  0.00  0.00    -0.471 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.599  -0.568   2.152  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.017   0.543   1.216  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1       -1.851   1.885   1.594  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.204   2.913   0.720  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -2.712   2.600  -0.535  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1       -3.044   3.588  -1.376  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.876   1.278  -0.932  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -2.528   0.248  -0.058  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 6