REMARK  Name = BDB009101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.674  -0.845  -2.358  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.567  -1.538  -1.535  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.767  -2.063  -2.050  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        3.046  -1.912  -3.414  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.163  -1.222  -4.240  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.986  -0.688  -3.713  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.084  -0.352  -0.642  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.537  -0.275  -1.909  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.090   0.185  -2.620  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -0.652  -0.986   0.312  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.781   1.738  -0.049  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1       -4.562   0.500   0.584  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1       -3.341  -0.154   0.378  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -2.361   0.396  -0.463  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -2.588   1.622  -1.091  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -3.801   2.280  -0.891  0.00  0.00    +0.050 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -5.916   2.504   0.028  0.00  0.00    -0.489 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -7.303   3.875   1.394  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -6.550   2.559   1.307  0.00  0.00    +0.226 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
BRANCH  12  20
ATOM     20  O   LIG    1       -5.580  -0.013   1.342  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -5.347  -1.229   2.050  0.00  0.00    +0.226 C 
ATOM     22  C   LIG    1       -6.592  -1.540   2.861  0.00  0.00    +0.048 C 
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        3.724  -2.827  -1.163  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.042  -2.142   0.163  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        4.837  -0.874   0.175  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        5.383  -0.288  -1.097  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1        6.457   0.778  -0.859  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        6.039   1.736   0.250  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        5.798   0.986   1.561  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        5.046  -0.303   1.375  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        4.522  -0.945   2.607  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1        4.702  -0.454   3.717  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        3.846  -2.121   2.427  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1        3.464  -2.568   3.253  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1        3.591  -2.723   1.236  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8