REMARK  Name = BDB002980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.264  -0.928  -0.731  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1       -2.736  -0.116   0.323  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.907   0.603   1.114  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -0.450   0.552   0.890  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1        0.019  -0.300  -0.209  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.464  -0.423  -0.528  0.00  0.00    +0.216 C 
ATOM      7  C   LIG    1        2.336   0.734  -0.052  0.00  0.00    +0.234 C 
ATOM      8  C   LIG    1        1.910   1.156   1.360  0.00  0.00    +0.221 C 
ATOM      9  O   LIG    1        2.735   1.492   2.214  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        2.173   1.972  -0.950  0.00  0.00    +0.073 C 
ATOM     11  O   LIG    1        1.896  -1.406  -1.125  0.00  0.00    -0.287 OA
ATOM     12  C   LIG    1        0.432   1.224   1.664  0.00  0.00    +0.073 C 
ATOM     13 BR   LIG    1       -0.032   2.299   3.138  0.00  0.00    -0.046 Br
ATOM     14  C   LIG    1       -0.878  -0.983  -0.941  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2  15
ATOM     15  C   LIG    1       -4.179  -0.012   0.600  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -4.781  -0.844   1.549  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -6.147  -0.730   1.815  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -6.928   0.216   1.145  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -6.328   1.053   0.203  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.959   0.941  -0.066  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -8.248   0.220   1.500  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -9.088   1.165   0.849  0.00  0.00    +0.277 C 
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   1  23
ATOM     23  C   LIG    1       -3.150  -1.763  -1.568  0.00  0.00    +0.148 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.740  -4.250  -1.662  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.177  -3.161  -1.015  0.00  0.00    -0.013 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   7  26
ATOM     26  O   LIG    1        3.716   0.321   0.066  0.00  0.00    -0.442 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.452   0.091  -1.051  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1        4.099   0.315  -2.199  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  C   LIG    1        5.812  -0.425  -0.677  0.00  0.00    +0.132 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.714   0.733  -0.284  0.00  0.00    +0.132 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.108   0.256   0.029  0.00  0.00    +0.307 C 
ATOM     32  O   LIG    1        8.467  -0.913   0.051  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        8.907   1.328   0.290  0.00  0.00    -0.468 OA
ATOM     34  C   LIG    1       10.257   0.983   0.608  0.00  0.00    +0.280 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 10