REMARK  Name = BDB032206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.825   0.316  -1.227  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -1.066   1.450  -0.911  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        0.194   1.319  -0.322  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.721   0.051  -0.040  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -0.026  -1.084  -0.378  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.286  -0.952  -0.967  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.177   0.458  -1.885  0.00  0.00    +0.195 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -4.132  -0.454  -1.339  0.00  0.00    -0.372 OA
BRANCH   8  13
ATOM      9  C   LIG    1       -8.187  -0.635   1.087  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1       -7.036   0.013   1.715  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1       -6.606   1.209   0.982  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -5.874   0.913  -0.327  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -4.696  -0.033  -0.092  0.00  0.00    +0.121 C 
ATOM     14  C   LIG    1       -5.171  -1.286   0.643  0.00  0.00    +0.047 C 
ATOM     15  C   LIG    1       -5.921  -0.920   1.922  0.00  0.00    +0.086 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        2.087  -0.084   0.586  0.00  0.00    +0.264 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.064   0.103  -0.436  0.00  0.00    -0.487 OA
BRANCH  17  18
ATOM     18  C   LIG    1        4.377   0.035  -0.063  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        5.287   0.252  -1.103  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        6.675   0.214  -0.881  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        7.167  -0.058   0.411  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        8.569  -0.096   0.575  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        9.444   0.132  -0.422  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        8.935   0.398  -1.641  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1        6.235  -0.267   1.453  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        7.581   0.444  -1.920  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        4.856  -0.222   1.218  0.00  0.00    +0.046 A 
BRANCH  22  28
ATOM     28  N   LIG    1        9.159  -0.376   1.813  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       10.163  -0.376   1.648  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        8.844  -1.275   2.160  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7