REMARK  Name = BDB048693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.238  -0.443   0.802  0.00  0.00    -0.281 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.084  -1.786   0.799  0.00  0.00    +0.291 A 
ATOM      3  O   LIG    1       -0.746  -2.326  -0.152  0.00  0.00    -0.424 OA
ATOM      4  C   LIG    1       -0.718  -3.665   0.095  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1        0.117  -3.874   1.177  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        0.317  -5.182   1.637  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -0.347  -6.224   0.971  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.185  -5.968  -0.122  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.393  -4.665  -0.592  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1        0.616  -2.675   1.615  0.00  0.00    -0.195 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1        1.141   0.160   1.775  0.00  0.00    +0.144 C 
BRANCH  11  14
ATOM     12  C   LIG    1        4.135   2.045   0.312  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        2.885   1.764   0.875  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.502   0.448   1.178  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        3.400  -0.591   0.909  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.646  -0.319   0.344  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.013   0.996   0.045  0.00  0.00    +0.045 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.358   3.373   0.073  0.00  0.00    -0.481 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.625   3.763  -0.436  0.00  0.00    +0.349 C 
BRANCH  19  21
ATOM     20  O   LIG    1        4.966   3.214  -2.751  0.00  0.00    -0.247 OA
ATOM     21  C   LIG    1        5.797   3.579  -1.936  0.00  0.00    +0.343 C 
BRANCH  21  22
ATOM     22  O   LIG    1        7.049   3.885  -2.343  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        7.019   3.740  -3.313  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   1  24
ATOM     24  C   LIG    1       -0.357   0.398  -0.228  0.00  0.00    +0.113 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.631   1.086   0.258  0.00  0.00    +0.060 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.781   0.115   0.510  0.00  0.00    +0.230 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -3.967   0.833   0.862  0.00  0.00    -0.492 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.826   1.212  -0.132  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1       -4.606   1.102  -1.505  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -5.577   1.543  -2.411  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.769   2.098  -1.949  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.992   2.215  -0.580  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.022   1.776   0.322  0.00  0.00    +0.045 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 12