REMARK  Name = BDB029294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245  -0.928   1.235  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.589   0.040   0.651  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.897   0.302   1.116  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1       -2.331  -0.467   2.213  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.515  -1.433   2.805  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.231  -1.663   2.316  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.861   1.395   0.406  0.00  0.00    +0.006 C 
ATOM      8  C   LIG    1       -3.741   2.275   1.365  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.225   3.571   0.696  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -4.241   4.257  -0.216  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -2.159   2.723  -0.046  0.00  0.00    +0.033 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -2.654   4.532   1.630  0.00  0.00    +0.069 C 
ATOM     13  N   LIG    1       -2.189   5.303   2.363  0.00  0.00    -0.196 NA
ENDBRANCH   9  12
BRANCH   7  14
ATOM     14  C   LIG    1       -3.607   0.721  -0.772  0.00  0.00    +0.088 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.574  -0.327  -0.337  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -4.411  -1.682  -0.481  0.00  0.00    -0.320 N 
ATOM     17  C   LIG    1       -3.315  -2.384  -1.090  0.00  0.00    +0.151 C 
ATOM     18  C   LIG    1       -5.516  -2.256   0.069  0.00  0.00    +0.224 A 
ATOM     19  N   LIG    1       -6.321  -1.321   0.513  0.00  0.00    -0.138 NA
ATOM     20  N   LIG    1       -5.734  -0.108   0.250  0.00  0.00    -0.135 NA
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        2.511  -1.988   1.047  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        1.525  -1.091   0.679  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        1.793  -0.475  -0.085  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.447  -2.847   1.918  0.00  0.00    -0.268 OA
BRANCH  21  30
ATOM     25  C   LIG    1        7.192  -3.237  -0.109  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        5.946  -2.425  -0.296  0.00  0.00    +0.042 A 
ATOM     27  N   LIG    1        5.955  -1.488  -1.268  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        4.851  -0.737  -1.456  0.00  0.00    +0.133 A 
ATOM     29  N   LIG    1        3.730  -0.886  -0.729  0.00  0.00    -0.227 NA
ATOM     30  C   LIG    1        3.765  -1.838   0.237  0.00  0.00    +0.129 A 
ATOM     31  C   LIG    1        4.849  -2.641   0.500  0.00  0.00    +0.056 A 
BRANCH  28  32
ATOM     32  C   LIG    1        4.871   0.310  -2.541  0.00  0.00    +0.057 C 
ATOM     33  C   LIG    1        4.476   1.738  -2.234  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        5.911   1.408  -2.515  0.00  0.00    +0.012 C 
ENDBRANCH  28  32
ENDBRANCH  21  30
ENDBRANCH   1  22
TORSDOF 7