REMARK  Name = BDB000444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.937  -0.855  -0.844  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.418   0.397  -0.456  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.699   0.480   0.074  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.420   1.709   0.530  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -4.555   1.097   1.365  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -4.859  -0.297   0.767  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -3.507  -0.652   0.205  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.045  -1.899  -0.175  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.753  -1.992  -0.699  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1        0.297  -1.120  -1.372  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        1.208  -0.042  -1.575  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.003   0.283  -0.314  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.718  -0.943   0.249  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.504  -0.580   1.387  0.00  0.00    -0.492 OA
BRANCH  14  18
ATOM     15  C   LIG    1        7.491   0.615   1.127  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        6.779   0.414  -0.060  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        5.438   0.011  -0.023  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.801  -0.196   1.201  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        5.516   0.012   2.385  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        6.854   0.413   2.353  0.00  0.00    +0.022 A 
BRANCH  15  22
ATOM     21  N   LIG    1        9.973   1.363   1.045  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        8.863   1.028   1.084  0.00  0.00    +0.099 C 
ENDBRANCH  15  22
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1       -5.920  -0.266  -0.337  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -7.309  -0.071   0.219  0.00  0.00    +0.305 C 
ATOM     25  O   LIG    1       -7.593   0.020   1.402  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -8.247  -0.009  -0.755  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1       -7.887  -0.104  -1.658  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 10